SCHEMBL4518898

SCHEMBL4518898

c1ccc(-c2csc([C@@H]3CCCN3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
AR P10275 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
BAZ2A Q9UIF9 1/20 0.41

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
SCHEMBL4518901 1.00 HPGDS (0.50) HPGDSL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2308432 0.95 HPGDS (0.49) HPGDSL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2308438 0.95 HPGDS (0.49) HPGDSL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL13779739 0.89 HPGDS (0.43) HPGDSL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13209703 0.89 HPGDS (0.43) HPGDSL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2636782 0.88 CHRNB2 (0.43) HPGDSNPC1RAB9ASMN1; SMN2AR
SCHEMBL2636780 0.88 CHRNB2 (0.43) HPGDSNPC1RAB9ASMN1; SMN2AR
SCHEMBL15453507 0.85 SMN1; SMN2 (0.49) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2308428 0.84 BAZ2A (0.46) HPGDSNPC1RAB9ASMN1; SMN2AR
SCHEMBL2308422 0.84 BAZ2A (0.46) HPGDSNPC1RAB9ASMN1; SMN2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478359-B Carbamate TRPV1 antagonism/FAAH inhibition double-target drug, and preparation method and application thereof 河南大学 2023-09-29 CN disclosed
CN-111423432-B (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2023-01-24 CN disclosed
CN-114478359-A Carbamate TRPV1 antagonistic/FAAH inhibition double-target medicine and preparation method and application thereof 河南大学 2022-05-13 CN disclosed
CN-111423432-A (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2020-07-17 CN disclosed
US-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 US disclosed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 EP disclosed
WO-2007077186-A1 PDF INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 HPGDS 476/4885L3MBTL1 3997/4885NPC1 1906/4885

“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.