SCHEMBL10169993

SCHEMBL10169993

CNc1cc(F)c(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 6/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MDM2 Q00987 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
GPR27 Q9NS67 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GFER P55789 1/20 0.42
HCAR3 P49019 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL1975633 0.84 ALDH1A1 (0.52) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL9899351 0.84 FADS1 (0.49) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL11992698 0.81 SMN1; SMN2 (0.48) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL10169961 0.80 RAB9A (0.51) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL1725574 0.80 PTGES (0.47) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL11951407 0.79 HTT (0.49) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL1726418 0.79 HCAR3 (0.60) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL9945002 0.77 FADS1 (0.49) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL670410 0.76 HCAR3 (0.55) KMT2AMEN1HTTMAPTAKR1C2
SCHEMBL1671453 0.76 MAPT (0.63) KMT2AMEN1HTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097359-B Compounds as microsomal prostaglandin E2 synthase-1 inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-17 CN 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-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 KMT2A 3062/4885MEN1 3681/4885HTT 4396/4885

“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.