SCHEMBL15001983

SCHEMBL15001983

COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCc4nc(C)oc4C3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 7/20 0.39
MAPT P10636 3/20 0.39
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL15024574 0.81 GRM5 (0.46) KMT2ANPC1RAB9AGRM5ALDH1A1
SCHEMBL15001979 0.80 ABCB1 (0.51) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL15001830 0.80 GRM5 (0.49) KMT2ANPC1RAB9AGRM5POLB
SCHEMBL15001984 0.78 NPC1 (0.52) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL15001980 0.78 GRM5 (0.49) KMT2ANPC1RAB9AGRM5POLB
SCHEMBL15033971 0.76 GRM5 (0.43) KMT2ANPC1RAB9AGRM5POLB
SCHEMBL15001986 0.76 GRM5 (0.46) KMT2ANPC1RAB9AGRM5POLB
SCHEMBL15001981 0.76 NPC1 (0.49) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL15001885 0.76 GRM5 (0.59) GRM5SMN1; SMN2
SCHEMBL15001881 0.75 GRM5 (0.54) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 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-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 KMT2A 1800/4885NPC1 1813/4885RAB9A 732/4885

“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.