SCHEMBL9910037

SCHEMBL9910037

COC(=O)c1ccc(C2(c3nc(C)c(C(C)=O)s3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
KMT2A Q03164 7/20 0.41
NPC1 O15118 7/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 6/20 0.41
RXFP1 Q9HBX9 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GSK3A P49840 1/20 0.38

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
SCHEMBL2700139 0.87 ALDH1A1 (0.44) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9910036 0.86 RXRA (0.43) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1920137 0.85 NPC1 (0.47) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL197816 0.79 POLB (0.39) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL197046 0.77 HDAC1 (0.46) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2699870 0.77 MAPK1 (0.38) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16920416 0.75 CYP3A4 (0.37) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2698532 0.75 MAPT (0.53) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2698321 0.73 RXRA (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1919491 0.73 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 RAB9A 2514/4885KMT2A 121/4885NPC1 277/4885

“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.