SCHEMBL6023398

SCHEMBL6023398

NC(=O)CCNc1ccc(C(N)=O)cc1N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.57
PTGER4 P35408 4/20 0.51
GAA P10253 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
THRB P10828 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
PLEC Q15149 1/20 0.50
HSD17B10 Q99714 2/20 0.49
PRKCI P41743 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 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
SCHEMBL22908891 0.90 PRSS1 (0.69) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22428322 0.87 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL29512975 0.87 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL29513036 0.87 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22908881 0.87 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22121248 0.86 PRSS1 (0.55) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22118804 0.84 GAA (0.58) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL6023401 0.83 PRSS1 (0.47) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22135331 0.81 PRSS1 (0.59) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL7513506 0.79 PKM (0.67) PRSS1PTGER4GAAKDM4EALDH1A1

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
US-7138420-B2 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20050203158-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
EP-1529046-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-11 EP disclosed
WO-2004014905-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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-20050203158-A1 Substituted benzimidazole compounds ITK, BLK, SBK1 PRSS1 515/4885PTGER4 1117/4885GAA 749/4885

“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.