SCHEMBL1974587

SCHEMBL1974587

Nc1cc(F)c(C(=O)OCc2ccccc2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 4/20 0.54
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.48
TSHR P16473 4/20 0.48
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL18782372 0.89 ALDH1A1 (0.64) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL25606243 0.88 ALDH1A1 (0.55) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL380111 0.86 KMT2A (0.49) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL1972609 0.84 RAB9A (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL2146000 0.84 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL8130349 0.84 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL8555147 0.83 ALDH1A1 (0.50) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL31448243 0.83 ALDH1A1 (0.50) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL23812467 0.83 ALDH1A1 (0.60) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL24515880 0.82 TDP1 (0.62) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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 ALDH1A1 1080/4885TDP1 2997/4885SLC6A2 4786/4885

“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.