SCHEMBL43012

SCHEMBL43012

[NH]Cc1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 1/20 0.43
POLQ O75417 1/20 0.42
DAO P14920 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
AR P10275 1/20 0.40
MAOA P21397 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
SCHEMBL2095076 0.82 IDO1 (0.41) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2090315 0.82 IDO1 (0.52) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL41932 0.80 IDO1 (0.44) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL5097748 0.80 IDO1 (0.44) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL3647884 0.80 IDO1 (0.59) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL17329111 0.80 IDO1 (0.59) IDO1ALDH1A1POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL6169962 0.79 IDO1 (0.62) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL1696970 0.79 HSPA5 (0.38) IDO1MAOBKMT2A
SCHEMBL2096669 0.79 IDO1 (0.48) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2097721 0.78 IDO1 (0.57) IDO1ALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
EP-3089969-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASES TYPE 1 AND TYPE 2 Elexopharm GmbH (DE) 2016-11-09 EP claimed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 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 (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R IDO1 481/4885ALDH1A1 1731/4885POLB 3626/4885
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 IDO1 1019/4885ALDH1A1 68/4885POLB 926/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885ALDH1A1 1429/4885POLB 3062/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885ALDH1A1 3383/4885POLB 3251/4885

“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.