SCHEMBL4908870

SCHEMBL4908870

COCc1nc(CNC(=O)c2ccc(Cl)s2)cn1-c1ccc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.40
F2 P00734 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4908294 0.88 F10 (0.44) F10F2MAPK1HPGDMEN1
SCHEMBL4914027 0.82 F10 (0.47) F10MAPK1HPGD
SCHEMBL4901728 0.81 F10 (0.44) F10F2MAPK1HPGDMEN1
SCHEMBL4906628 0.77 HPGD (0.44) F10F2MAPK1HPGD
SCHEMBL4911156 0.74 HPGD (0.41) F10MAPK1HPGDKDM4ENPC1
SCHEMBL4910084 0.73 F10 (0.41) F10F2HTTNPSR1
SCHEMBL4909591 0.70 F10 (0.47) F10F2
SCHEMBL4912045 0.69 F10 (0.59) F10F2
SCHEMBL4900375 0.69 F10 (0.46) F10F2
SCHEMBL4901293 0.66 MAPKAPK2 (0.41)

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 2414/4885F2 250/4885MAPK1 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.