SCHEMBL18540599

SCHEMBL18540599

COc1ccc(NC(=O)c2cccc(-c3nnc(SCC(C)=O)[nH]3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KLK7 P49862 1/20 0.48
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 2/20 0.46
PLG P00747 2/20 0.46
PLAU P00749 2/20 0.46
PLAT P00750 2/20 0.46
COMT P21964 1/20 0.46
FPR2 P25090 2/20 0.46
FPR1 P21462 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL17212992 0.92 PKM (0.52) POLBCYP1A2CYP3A4KLK7MAPT
SCHEMBL18540544 0.91 NPC1 (0.48) POLBCYP1A2CYP3A4KLK7MAPT
SCHEMBL18540535 0.89 SMN1; SMN2 (0.49) POLBMAPTNPC1RAB9AKMT2A
SCHEMBL17213067 0.84 RXFP1 (0.54) POLBPKMNPC1RAB9AKMT2A
SCHEMBL18540518 0.82 GRK6 (0.51) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18540543 0.81 NPC1 (0.52) POLBCYP1A2CYP3A4MAPTNPC1
SCHEMBL17213099 0.81 NPC1 (0.51) POLBMAPTNPC1RAB9AKMT2A
SCHEMBL18540519 0.80 GRK6 (0.51) POLBMAPTPKMKMT2ASMN1; SMN2
SCHEMBL18540553 0.80 RAB9A (0.41) POLBCYP1A2MAPTNPC1RAB9A
SCHEMBL17213100 0.79 NR1H4 (0.48) POLBMAPTNPC1RAB9AKMT2A

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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 POLB 4006/4885CYP1A2 4876/4885CYP3A4 4863/4885

“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.