SCHEMBL10170901

SCHEMBL10170901

CNc1cc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.63
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 2/20 0.49
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
SLC2A1 P11166 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9944835 0.86 FADS1 (0.56) FADS1NPC1RAB9ATSHRKMT2A
SCHEMBL11992718 0.84 EGFR (0.57) FADS1NPC1RAB9ATSHRKMT2A
SCHEMBL9944731 0.84 FADS1 (0.53) FADS1NPC1RAB9ATSHRKMT2A
SCHEMBL9946577 0.84 FADS1 (0.53) FADS1NPC1RAB9ATSHRKMT2A
SCHEMBL10169961 0.82 RAB9A (0.51) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL10170839 0.82 FADS1 (0.51) FADS1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL9944831 0.82 FADS1 (0.51) FADS1NPC1RAB9ATSHRKMT2A
SCHEMBL9899451 0.81 FADS1 (0.50) FADS1NPC1RAB9ATSHRKMT2A
SCHEMBL9898709 0.81 FADS1 (0.50) FADS1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9899351 0.81 FADS1 (0.49) FADS1NPC1RAB9ATSHRKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012022793-A1 NEW COMPOUNDS 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-20120214786-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES FADS1 362/4885NPC1 741/4885RAB9A 2718/4885

“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.