SCHEMBL119689

SCHEMBL119689

NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 1.00
NR4A1 P22736 1/20 0.74
NR4A2 P43354 1/20 0.74
NR4A3 Q92570 1/20 0.74
MAOB P27338 6/20 0.71
PARP15 Q460N3 2/20 0.68
PARP14 Q460N5 2/20 0.68
SRD5A2 P31213 1/20 0.68
PLA2G4B P0C869 1/20 0.64
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61

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 SCHEMBL8861530 0.98 PARP10 (0.97) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL5999764 0.93 PARP10 (0.87) PARP10NR4A1NR4A2NR4A3MAOB
Cyclopentanol SCHEMBL9289670 0.87 PARP10 (0.76) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL10668431 0.86 PARP10 (0.75) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL4059143 0.85 NR4A2 (1.00) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL228477 0.85 NR4A2 (1.00) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL6830467 0.85 NR4A2 (1.00) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL3232949 0.85 SRD5A2 (0.90) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL2666406 0.84 MEN1 (0.75) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL11603952 0.84 NR4A2 (0.96) PARP10NR4A1NR4A2NR4A3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-103130709-B 3-aminopropionic acid piperidine amide compound with HIV activity, synthetic method and application 常州亚邦制药有限公司 2017-04-12 CN claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-7541359-B2 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-02 US claimed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
EP-0866793-B1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORP (US) 2004-10-27 EP claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP claimed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US claimed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
US-6087358-A BACTERICIDES TREATING PATHOGENIC INFECTIONS OF MYCOBACTERIA, CLOSTRIDIUM, CRYPTOSPORIDIUM OR HELICOBACTER AND MULTIDRUG-RESISTANT TUBERCULOSIS PATHOGENESIS CORPORATION (US) 2000-07-11 US claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20080318903-A1 METHODS FOR TREATING CANCER HCCS, EIF2AK2, ZC3HAV1 PARP10 2718/4885NR4A1 2354/4885NR4A2 1829/4885
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 PARP10 2797/4885NR4A1 548/4885NR4A2 1134/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA PARP10 1996/4885NR4A1 1490/4885NR4A2 1700/4885

“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.