SCHEMBL670299

SCHEMBL670299

Nc1cc(OCC(F)F)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DTYMK P23919 1/20 0.38
CDK2 P24941 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MLNR O43193 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL11951423 0.88 MAPT (0.41) LMNAMAPTALDH1A1CYP3A4MEN1
SCHEMBL27146761 0.86 PDGFRB (0.43) LMNAMAPTALDH1A1TDP1MEN1
SCHEMBL671333 0.84 ALDH1A1 (0.49) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL670605 0.83 ALDH1A1 (0.36) MAPTALDH1A1CYP3A4TDP1MEN1
SCHEMBL1968386 0.83 ALDH1A1 (0.44) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL1968198 0.83 LMNA (0.42) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL9721688 0.82 MAPT (0.55) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL1724905 0.81 HCAR3 (0.45) LMNAMAPTALDH1A1HNF4AMYC
SCHEMBL23914961 0.81 MAPT (0.42) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL23913686 0.80 MAPT (0.43) LMNAMAPTALDH1A1CYP3A4ALOX15

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
EP-2606036-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP 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
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 LMNA 2388/4885MAPT 4286/4885ALDH1A1 184/4885

“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.