SCHEMBL4764484

SCHEMBL4764484

ClCc1cn2ccsc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 6/20 0.53
TSHR P16473 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 3/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL12531819 0.81 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL12535906 0.81 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL2386978 0.81 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL12338477 0.81 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL9597093 0.78 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL9965992 0.78 TP53 (0.51) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL3716611 0.78 MAPT (0.52) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL9570044 0.78 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL14131227 0.77 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL12631459 0.77 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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
CN-115624957-B Modified functional silica gel material and preparation method and application thereof 苏州硒诺唯新新材料科技有限公司 2023-04-07 CN disclosed
CN-115624957-A Modified functional silica gel material and preparation method and application thereof 苏州硒诺唯新新材料科技有限公司 2023-01-20 CN disclosed
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A NPC1 1991/4885RAB9A 334/4885SMN1; SMN2 1443/4885

“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.