SCHEMBL620875

SCHEMBL620875

COc1ccc(O)c(CN)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
MCL1 Q07820 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LMNA P02545 1/20 0.49
HTR2B P41595 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29068281 0.98 GAA (0.58) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL20798298 0.84 CALM1 (0.54) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL639120 0.84 POLB (0.57) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL51653 0.83 GAA (0.53) GAAKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28472802 0.82 POLB (0.56) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL805304 0.82 MTNR1A (0.55) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL1638977 0.82 GAA (0.52) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL8959159 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL22284793 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL21248098 0.80 ALDH1A1 (0.50) GAAKDM4EMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS VANDERBILT UNIVERSITY 2023-11-16 US disclosed
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY 2023-11-09 US disclosed
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY 2023-11-09 US disclosed
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
CN-116554080-A 1H-indole-2-carboxylic acid derivative, pharmaceutical composition and application 深圳市坤健创新药物研究院 2023-08-08 CN disclosed
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles VANDERBILT UNIVERSITY (US) 2023-07-11 US disclosed
US-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER MTI BIOTECH, INC. 2023-06-15 US disclosed
US-20230069820-A9 USE OF 2-HYDROXYBENZYLAMINE FOR THE TREATMENT OF SYSTEMIC LUPUS VANDERBILT UNIVERSITY 2023-03-02 US disclosed
US-11400103-B2 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2022-08-02 US disclosed
WO-2011134444-A9 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-02-16 WO disclosed
WO-2011134444-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-03 WO disclosed
WO-2011008202-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY VANDERBILT UNIVERSITY (US) 2011-01-20 WO disclosed
EP-1475094-B1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use USTAV EX BOTAN AKADEMIE VED CE (CZ) 2010-07-28 EP disclosed
WO-2008121076-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US disclosed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R GAA 1485/4885KDM4E 4678/4885MEN1 4557/4885
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 GAA 847/4885KDM4E 292/4885MEN1 1844/4885
US-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER CPT1A, AKR7A2, FABP1 GAA 115/4885KDM4E 692/4885MEN1 4823/4885
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS HACL2, APOB, OAT GAA 402/4885KDM4E 2385/4885MEN1 2895/4885
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS FABP2, SI, MLN GAA 3064/4885KDM4E 3446/4885MEN1 4644/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 GAA 256/4885KDM4E 444/4885MEN1 4532/4885
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO GAA 4458/4885KDM4E 2102/4885MEN1 4350/4885
US-20230069820-A9 USE OF 2-HYDROXYBENZYLAMINE FOR THE TREATMENT OF SYSTEMIC LUPUS SSB, HBG2, INMT GAA 612/4885KDM4E 449/4885MEN1 2308/4885
US-11400103-B2 Methods of preventing platelet activation PLG, PLA2G7, PLAT GAA 481/4885KDM4E 3590/4885MEN1 4146/4885
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles OGG1, LGMN, GLO1 GAA 504/4885KDM4E 1923/4885MEN1 1893/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.