SCHEMBL1972609

SCHEMBL1972609

Nc1cc(F)c(C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
MITF O75030 1/20 0.43
PDE1C Q14123 1/20 0.43
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGES O14684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
COMT P21964 1/20 0.41
MAPK1 P28482 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
SCHEMBL1972473 0.89 ALDH1A1 (0.49) RAB9AMAPTALDH1A1TDP1CTSV
SCHEMBL1974587 0.84 ALDH1A1 (0.55) RAB9AMAPTALDH1A1TDP1KDM4E
SCHEMBL670300 0.81 MAPT (0.54) RAB9AMAPTALDH1A1KDM4EMITF
SCHEMBL8552346 0.81 PKM (0.47) RAB9AALDH1A1TDP1CTSVCTSL
SCHEMBL18782372 0.80 ALDH1A1 (0.64) RAB9AMAPTALDH1A1TDP1KDM4E
SCHEMBL25606243 0.79 ALDH1A1 (0.55) RAB9AMAPTALDH1A1TDP1KDM4E
SCHEMBL28999453 0.79 ALDH1A1 (0.49) RAB9AMAPTALDH1A1TDP1KDM4E
SCHEMBL27612878 0.79 MAPT (0.77) RAB9AMAPTALDH1A1TDP1KDM4E
SCHEMBL11491980 0.79 MAPT (0.62) RAB9AMAPTALDH1A1TDP1KDM4E
SCHEMBL20400990 0.79 RAB9A (0.57) RAB9AMAPTALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
EP-2334664-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034797-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, MAP4 RAB9A 1246/4885MAPT 515/4885ALDH1A1 1080/4885

“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.