SCHEMBL4901728

SCHEMBL4901728

COCc1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(NC(=O)CNCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.44
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MALT1 Q9UDY8 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
SCHEMBL4914027 0.90 F10 (0.47) F10HPGDMAPK1MALT1
SCHEMBL4908294 0.87 F10 (0.44) F10HPGDMAPK1F2MEN1
SCHEMBL4906628 0.83 HPGD (0.44) F10HPGDMAPK1F2
SCHEMBL4908870 0.81 F10 (0.40) F10HPGDMAPK1F2MEN1
SCHEMBL4911156 0.80 HPGD (0.41) F10HPGDMAPK1MEN1ALDH1A1
SCHEMBL4909591 0.76 F10 (0.47) F10F2
SCHEMBL4912045 0.75 F10 (0.59) F10F2
SCHEMBL4900375 0.75 F10 (0.46) F10F2
SCHEMBL4910084 0.72 F10 (0.41) F10F2
SCHEMBL4908667 0.70 F10 (0.57) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 F10 2414/4885HPGD 4194/4885MAPK1 4379/4885

“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.