SCHEMBL9939935

SCHEMBL9939935

Cc1cc(C(=O)NCc2ccc(Cl)c(Nc3nc4cc(N5CCCC5)ccc4[nH]3)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.42
MAP4K1 Q92918 9/20 0.42
WDR5 P61964 4/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAOB P27338 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
SCHEMBL9939824 0.86 POLB (0.45) WDR5POLBALDH1A1MAPTHDAC1
SCHEMBL9939862 0.85 KDM1A (0.41) KLKB1MAP4K1WDR5POLBKDM1A
SCHEMBL9939936 0.84 ENPP2 (0.36) WDR5ALDH1A1MAPTTRPV1
SCHEMBL9939851 0.83 CYP1A2 (0.45) WDR5
SCHEMBL9939772 0.83 PPARD (0.39) WDR5ALDH1A1MAPT
SCHEMBL9939974 0.83 PTGES (0.43)
SCHEMBL9939865 0.82 CNR1 (0.36) KLKB1WDR5ALDH1A1MAPT
SCHEMBL9939842 0.82 HDAC3 (0.39) WDR5POLBHDAC1ROCK2ROCK1
SCHEMBL9939978 0.82 SMN1; SMN2 (0.42) POLBALDH1A1MAPTHDAC1ROCK2
SCHEMBL9939775 0.81 DRD2 (0.40) WDR5TRPV1

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
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES KLKB1 3858/4885MAP4K1 3290/4885WDR5 3321/4885

“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.