SCHEMBL671475

SCHEMBL671475

CNc1cc(F)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
HCAR3 P49019 2/20 0.51
CDC25B P30305 1/20 0.50
AKR1C2 P52895 6/20 0.47
AKR1C1 Q04828 3/20 0.47
HTT P42858 2/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
AKR1C3 P42330 5/20 0.42
ESPL1 Q14674 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DTYMK P23919 1/20 0.40
AKR1B1 P15121 2/20 0.39
AKR1C4 P17516 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL670410 0.88 HCAR3 (0.55) MAPTHCAR3CDC25BAKR1C2AKR1C1
SCHEMBL8900476 0.85 HCAR3 (0.59) MAPTHCAR3CDC25BAKR1C2HTT
SCHEMBL29109409 0.85 MAPT (0.59) MAPTHCAR3CDC25BAKR1C2AKR1C1
SCHEMBL28544472 0.85 SMN1; SMN2 (0.52) MAPTCDC25BAKR1C2AKR1C1HTT
SCHEMBL13195393 0.82 HCAR3 (0.39) MAPTHCAR3CDC25BAKR1C2AKR1C1
SCHEMBL23418074 0.80 HCAR3 (0.47) MAPTHCAR3CDC25BHTTESPL1
SCHEMBL670578 0.80 DTYMK (0.46) MAPTAKR1C2AKR1C1HTTESPL1
SCHEMBL5167381 0.79 SMN1; SMN2 (0.52) MAPTCDC25BAKR1C2AKR1C1HTT
SCHEMBL2240615 0.79 TSHR (0.51) HCAR3CDC25BAKR1C2AKR1C1ESPL1
SCHEMBL11951407 0.78 HTT (0.49) MAPTHCAR3CDC25BAKR1C2HTT

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
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
EP-2649051-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) 2013-10-16 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPT 4336/4885HCAR3 228/4885CDC25B 1778/4885
US-20120214786-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES MAPT 4286/4885HCAR3 373/4885CDC25B 1554/4885

“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.