SCHEMBL18540544

SCHEMBL18540544

C=C(O)CSc1nnc(-c2cccc(C(=O)Nc3ccc(OC)cc3)c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
KLK7 P49862 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 2/20 0.46
TP53 P04637 1/20 0.45
PLG P00747 2/20 0.45
PLAU P00749 2/20 0.45
PLAT P00750 2/20 0.45
COMT P21964 1/20 0.44
FPR1 P21462 1/20 0.44
FPR2 P25090 1/20 0.44

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 0.93 PKM (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18540599 0.91 POLB (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17213067 0.84 RXFP1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18540535 0.81 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17213099 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17213100 0.80 NR1H4 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17213140 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17212991 0.77 GRK6 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17213061 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14907739 0.74 GRK6 (0.63) NPC1CYP1A2ALDH1A1KDM4EMAPT

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 NPC1 4476/4885RAB9A 1688/4885SMN1; SMN2 4578/4885

“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.