SCHEMBL3706586

SCHEMBL3706586

O=C(Nc1ccc(Br)cc1)c1ccc2[nH]c(Nc3c(Cl)cncc3Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
PTGES O14684 3/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 4/20 0.43
MAOB P27338 4/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.42
DGAT1 O75907 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL13393299 0.92 DGAT1 (0.48) MMP2MMP9MMP8MMP13PTGES
SCHEMBL1970703 0.92 DGAT1 (0.46) MMP2MMP9MMP8MMP13PTGES
SCHEMBL6127922 0.92 DGAT1 (0.51) MMP2MMP9MMP8MMP13PTGES
SCHEMBL1972015 0.87 MMP2 (0.44) MMP2MMP9MMP8MMP13MEN1
SCHEMBL1974260 0.86 NPC1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1973198 0.85 PTGES (0.51) MMP2MMP9MMP8MMP13PTGES
SCHEMBL1971285 0.85 PTGES (0.48) MMP2MMP9MMP8MMP13PTGES
SCHEMBL1974244 0.84 MAPT (0.49) MMP2MMP9MMP8MMP13MEN1
SCHEMBL13392763 0.84 PTGES (0.47) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL1338284 0.83 RAF1 (0.45) MMP2MMP9MMP8MMP13PTGES

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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US claimed
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

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 MMP2 1853/4885MMP9 2393/4885MMP8 1850/4885

“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.