SCHEMBL17212992

SCHEMBL17212992

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
KLK7 P49862 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
HPGD P15428 1/20 0.46
COMT P21964 1/20 0.46
FPR1 P21462 1/20 0.46

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
SCHEMBL18540544 0.93 NPC1 (0.48) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18540599 0.92 POLB (0.48) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17213067 0.91 RXFP1 (0.54) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17213099 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17213100 0.87 NR1H4 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17212991 0.84 GRK6 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL18540535 0.83 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17213061 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL14907739 0.82 GRK6 (0.63) NPC1CYP1A2MAPTALDH1A1KDM4E
SCHEMBL17212996 0.82 SIRT2 (0.52) NPC1RAB9APOLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134390-B1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-02-26 EP disclosed
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
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
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO 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 PKM 2268/4885NPC1 4476/4885RAB9A 1688/4885

“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.