SCHEMBL6023401

SCHEMBL6023401

NC(=O)CCNc1ccc(N)cc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.47
PTGER4 P35408 3/20 0.43
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
MAPK1 P28482 1/20 0.41
APEX1 P27695 1/20 0.36
NQO2 P16083 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL6023398 0.83 PRSS1 (0.57) PRSS1PTGER4GAAMAPTKDM4E
SCHEMBL6023869 0.81 PRSS1 (0.43) PRSS1PTGER4GAAMAPTKDM4E
Sulfuric Acid SCHEMBL8107597 0.79 PRSS1 (0.50) PRSS1PTGER4GAAMAPTKDM4E
SCHEMBL2927441 0.78 PRSS1 (0.49) PRSS1PTGER4GAAMAPTKDM4E
SCHEMBL14708846 0.76 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HSD17B10THRB
SCHEMBL14708817 0.76 RAB9A (0.47) GAAMAPTKDM4EALDH1A1THRB
Sulfuric Acid SCHEMBL8097992 0.76 PRSS1 (0.53) PRSS1PTGER4GAAMAPTKDM4E
SCHEMBL10608893 0.76 PRSS1 (0.50) PRSS1PTGER4GAAMAPTALDH1A1
SCHEMBL14708835 0.75 KMT2A (0.46) PRSS1PTGER4GAAMAPTKDM4E
Sulfuric Acid SCHEMBL7809563 0.75 PRSS1 (0.44) PRSS1PTGER4GAAMAPTKDM4E

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.