SCHEMBL1969313

SCHEMBL1969313

CCOc1cc2[nH]c(Nc3c(Cl)ccc(Cl)c3F)nc2cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.42
ABL1 P00519 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HDAC11 Q96DB2 1/20 0.37
S1PR2 O95136 1/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
DHODH Q02127 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
SCHEMBL1966839 0.90 PTGES (0.40) PTGESABL1SMN1; SMN2ALDH1A1POLB
SCHEMBL1964541 0.89 HDAC11 (0.45) PTGESALDH1A1POLBEGLN1HDAC11
SCHEMBL13393212 0.87 PTGES (0.58) PTGESSMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL16318365 0.84 PTGES (0.47) PTGESPOLBHDAC11TP53DHODH
SCHEMBL16352218 0.84 PTGES (0.51) PTGESMEN1KMT2ATP53
SCHEMBL16503254 0.84 PTGES (0.51) PTGESMEN1KMT2ATP53
SCHEMBL16318599 0.84 PTGES (0.49) PTGESMEN1KMT2A
SCHEMBL1967114 0.83 HDAC11 (0.42) PTGESABL1SMN1; SMN2ALDH1A1POLB
SCHEMBL16318374 0.82 PTGES (0.51) PTGESMEN1KMT2A
SCHEMBL16318415 0.82 PTGES (0.61) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 PTGES 118/4885ABL1 285/4885SMN1; SMN2 3446/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 PTGES 3823/4885ABL1 814/4885SMN1; SMN2 4785/4885

“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.