SCHEMBL10170838

SCHEMBL10170838

Nc1cc(F)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
PTGES O14684 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 7/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.38
S100A4 P26447 1/20 0.38

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
SCHEMBL11970128 1.00 HPGD (0.48) HPGDKDM1AMAOAPTGESNPC1
SCHEMBL10170842 0.87 HPGD (0.42) HPGDKDM1AMAOAPTGESNPC1
SCHEMBL11970141 0.87 HPGD (0.42) HPGDKDM1AMAOAPTGESNPC1
SCHEMBL11970152 0.85 ALDH1A1 (0.46) HPGDKDM1AMAOAPTGESNPC1
SCHEMBL10170837 0.85 ALDH1A1 (0.46) HPGDKDM1AMAOAPTGESNPC1
SCHEMBL1728080 0.85 HPGD (0.57) HPGDPTGESNPC1RAB9ASMN1; SMN2
SCHEMBL1728078 0.85 HPGD (0.57) HPGDPTGESNPC1RAB9ASMN1; SMN2
SCHEMBL11992706 0.83 RAB9A (0.52) HPGDKDM1AMAOANPC1RAB9A
SCHEMBL2060204 0.82 HPGD (0.55) HPGDKDM1AMAOANPC1RAB9A
SCHEMBL1727290 0.82 HTR4 (0.56) RAB9AALDH1A1

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 7 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-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 HPGD 16/4885KDM1A 1532/4885MAOA 628/4885

“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.