SCHEMBL1920137

SCHEMBL1920137

CC(=O)c1sc(C2(c3ccc(C(=O)NO)cc3)CC2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PKM P14618 1/20 0.39
AMY1A P0DUB6 1/20 0.38
PPARG P37231 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL1919491 0.87 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9910036 0.86 RXRA (0.43) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9910037 0.85 RAB9A (0.41) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL197046 0.82 HDAC1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL197816 0.79 POLB (0.39) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9910034 0.76 HDAC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3352336 0.73 HDAC1 (0.45) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2698321 0.73 RXRA (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2700139 0.73 ALDH1A1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL197448 0.71 HDAC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1

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 6 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 claimed
JP-2011529504-A 2011-12-08 JP claimed
CN-102123987-A Cycloalkylidene and heterocycloalkylidene histone deacetylase inhibitor compounds GILEAD COLORADO INC 2011-07-13 CN claimed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP claimed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 NPC1 277/4885RAB9A 2514/4885KMT2A 121/4885

“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.