SCHEMBL13393154

SCHEMBL13393154

O=C(NCCc1cccnc1)c1ccc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
SNCA P37840 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAPT P10636 1/20 0.44
PTAFR P25105 2/20 0.44
MAPK1 P28482 1/20 0.44
PARP1 P09874 1/20 0.43
DHFR P00374 1/20 0.42

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
SCHEMBL13393162 0.90 MAPK1 (0.48) NAMPTHDAC2HDAC8HDAC6NPC1
SCHEMBL1251079 0.85 NAMPT (0.55) NAMPTHDAC2HDAC8HDAC6MEN1
SCHEMBL16363569 0.83 MEN1 (0.47) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL13393167 0.83 NAMPT (0.50) NAMPTMEN1NPC1RAB9AKMT2A
SCHEMBL13392964 0.82 MAPK14 (0.50) MEN1KMT2AMAPK1PARP1
SCHEMBL1974508 0.80 NAMPT (0.53) NAMPTHDAC2HDAC8HDAC6MEN1
SCHEMBL1966890 0.79 POLB (0.51) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL16364047 0.78 PTGES (0.45) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13393317 0.77 USP2 (0.53) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1977350 0.77 KDM4E (0.54) NAMPTMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NAMPT 2348/4885HDAC2 256/4885HDAC8 490/4885

“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.