SCHEMBL20869741

SCHEMBL20869741

COc1ccc(Oc2ccccc2CN)c(CN)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CALM1 P0DP23 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 1/20 0.40

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 SCHEMBL3290381 0.80 TAAR1 (0.53) IDO1TAAR1ALDH1A1LMNAMAPT
SCHEMBL29500198 0.78 IDO1 (0.66) IDO1TAAR1ALOX5PTGS2ALDH1A1
SCHEMBL622754 0.78 IDO1 (0.66) IDO1TAAR1ALOX5PTGS2ALDH1A1
SCHEMBL39970 0.77 TAAR1 (0.69) IDO1TAAR1ALDH1A1LMNAMAPT
SCHEMBL29633165 0.77 TAAR1 (0.69) IDO1TAAR1ALDH1A1LMNAMAPT
SCHEMBL6319190 0.77 HRH1 (0.52) IDO1TAAR1KDM4ESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27792889 0.76 IDO1 (0.69) IDO1TAAR1ALOX5PTGS2ALDH1A1
SCHEMBL2782786 0.76 TAAR1 (0.58) IDO1TAAR1ALDH1A1LMNAMAPT
SCHEMBL21233223 0.76 CALM1 (0.44) IDO1TAAR1ALOX5PTGS2ALDH1A1
Ammonia Solution, Strong SCHEMBL7689341 0.75 TAAR1 (0.67) IDO1TAAR1ALDH1A1LMNAMAPT

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 12 patents. 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-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-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles VANDERBILT UNIVERSITY (US) 2023-07-11 US disclosed
US-11400103-B2 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2022-08-02 US disclosed
US-20210023032-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH INC (US) 2021-01-28 US disclosed
US-20200383938-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES VANDERBILT UNIVERSITY 2020-12-10 US disclosed
US-20200246358-A1 METHODS OF PREVENTING PLATELET ACTIVATION VANDERBILT UNIVERSITY 2020-08-06 US disclosed
US-20200197323-A1 METHODS FOR SUPPRESSING ACCUMULATION OF REFLUX-INDUCED PROTEIN ADDUCTS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2020-06-25 US disclosed
US-20190314302-A1 USE OF 2-HYDROXYBENZYLAMINE IN THE TREATMENT AND PREVENTION OF PULMONARY HYPERTENSION VANDERBILT UNIVERSITY 2019-10-17 US disclosed
US-20190247375-A1 Prevention And Treatment Of Atrial Fibrillation/Flutter With Gamma-Ketoaldehyde Scavengers VANDERBILT UNIVERSITY 2019-08-15 US disclosed
US-20190099387-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH 2019-04-04 US 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 (12 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-20200383938-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES OGG1, LGMN, GLO1 IDO1 1729/4885TAAR1 4425/4885ALOX5 490/4885
US-20190314302-A1 USE OF 2-HYDROXYBENZYLAMINE IN THE TREATMENT AND PREVENTION OF PULMONARY HYPERTENSION SIRT3, SIRT2, GLS IDO1 720/4885TAAR1 3877/4885ALOX5 2790/4885
US-20190247375-A1 Prevention And Treatment Of Atrial Fibrillation/Flutter With Gamma-Ketoaldehyde Scavengers KCNH1, AKR7A2, GLO1 IDO1 1240/4885TAAR1 966/4885ALOX5 398/4885
US-20210023032-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 IDO1 785/4885TAAR1 1641/4885ALOX5 351/4885
US-20190099387-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 IDO1 785/4885TAAR1 1641/4885ALOX5 351/4885
US-20200197323-A1 METHODS FOR SUPPRESSING ACCUMULATION OF REFLUX-INDUCED PROTEIN ADDUCTS FABP2, HSPBP1, FABP6 IDO1 2660/4885TAAR1 1789/4885ALOX5 1191/4885
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS HACL2, APOB, OAT IDO1 4126/4885TAAR1 3700/4885ALOX5 1258/4885
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS FABP2, SI, MLN IDO1 608/4885TAAR1 4642/4885ALOX5 429/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 IDO1 785/4885TAAR1 1641/4885ALOX5 351/4885
US-20200246358-A1 METHODS OF PREVENTING PLATELET ACTIVATION PLG, PLA2G7, PLAT IDO1 4425/4885TAAR1 4702/4885ALOX5 291/4885
US-11400103-B2 Methods of preventing platelet activation PLG, PLA2G7, PLAT IDO1 4425/4885TAAR1 4702/4885ALOX5 291/4885
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles OGG1, LGMN, GLO1 IDO1 1729/4885TAAR1 4425/4885ALOX5 490/4885

“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.