SCHEMBL1964751

SCHEMBL1964751

COCCOc1cccc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
HTR7 P34969 2/20 0.40
NCF1 P14598 8/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MCHR1 Q99705 5/20 0.38
CYBB P04839 1/20 0.38
NOX5 Q96PH1 1/20 0.38

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
SCHEMBL15517770 0.95 NCF1 (0.46) NCF1CYBBNOX5
SCHEMBL2062738 0.91 MCHR1 (0.40) NOS3NOS2HTR7NCF1MCHR1
SCHEMBL28004747 0.83 NOS3 (0.42) NOS3NOS2HTR7NCF1MCHR1
SCHEMBL3133230 0.81 MCHR1 (0.55) TSHRNOS3NOS2HTR7NCF1
SCHEMBL12093679 0.81 HTR7 (0.46) TSHRHTR7
SCHEMBL18578440 0.80 MCHR1 (0.56) TSHRNCF1MCHR1
SCHEMBL29545328 0.80 MCHR1 (0.56) TSHRNCF1MCHR1
SCHEMBL12092900 0.79 TSHR (0.46) TSHRNOS3NOS2HTR7
SCHEMBL2255491 0.79 ALDH1A1 (0.41) NOS3NOS2HTR7NCF1PIK3CD
SCHEMBL28800657 0.79 HTR7 (0.38) NOS3NOS2HTR7NCF1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 TSHR 3325/4885NOS3 187/4885NOS2 294/4885

“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.