SCHEMBL14281189

SCHEMBL14281189

Cc1cc(NC(=O)C(C)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)N1CCSC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
HRH4 Q9H3N8 6/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALOX15 P16050 1/20 0.38
CCKBR P32239 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MLLT1 Q03111 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4915184 0.93 CCKBR (0.38) DPP4HRH4HRH3CCKBRKDM4E
SCHEMBL8273653 0.87 MOK (0.46) HRH4HRH3ALOX15KDM4EALDH1A1
SCHEMBL4916310 0.82 HRH4 (0.42) HRH4HRH3ALDH1A1
SCHEMBL8272905 0.82 MLLT1 (0.48) HRH4HRH3ALDH1A1HPGDMLLT1
SCHEMBL4925760 0.80 EPHX2 (0.44) HRH3KDM4EALDH1A1HPGDMEN1
SCHEMBL8273650 0.79 HRH4 (0.43) HRH4HRH3ALOX15KDM4EALDH1A1
SCHEMBL6471308 0.78 TDP1 (0.46) DPP4HRH4HRH3ALOX15CCKBR
SCHEMBL8272693 0.77 HRH4 (0.43) HRH4HRH3ALOX15KDM4EALDH1A1
SCHEMBL8274765 0.76 HRH4 (0.42) HRH4HRH3ALOX15HPGDMLLT1
SCHEMBL8273616 0.76 F11 (0.43) HRH4HRH3ALOX15ALDH1A1MLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 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-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 DPP4 1689/4885HRH4 84/4885HRH3 134/4885

“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.