SCHEMBL670962

SCHEMBL670962

Nc1c(Cl)ccc(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KEAP1 Q14145 1/20 0.41
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
ADRA2A P08913 1/20 0.39
CLCN2 P51788 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL671054 0.84 KMT2A (0.48) ALDH1A1CASP1KDM4EMAPTNPC1
SCHEMBL14358945 0.84 ALDH1A1 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL18980394 0.81 ALDH1A1 (0.48) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL20721983 0.81 HPGD (0.55) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL671326 0.79 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL28417296 0.79 CES2 (0.45) ALDH1A1TSHRCASP1SMN1; SMN2KDM4E
SCHEMBL4847445 0.79 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2
Hydrochloric Acid SCHEMBL9860913 0.79 HPGD (0.53) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL10316048 0.78 ALDH1A1 (0.49) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL6315353 0.76 GABRP (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO 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 (1 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885TSHR 2173/4885TP53 3623/4885

“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.