SCHEMBL5358790

SCHEMBL5358790

O=S(=O)(c1ccccc1)n1cc(-c2cccs2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.65
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
HTR1A P08908 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TNF P01375 1/20 0.49

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
SCHEMBL3644542 0.79 HTR6 (1.00) HTR6CA12CA9CA2CA1
SCHEMBL7497262 0.79 L3MBTL1 (0.60) HTR6CA12CA9CA2CA1
SCHEMBL5355112 0.77 HTR6 (0.60) HTR6CA12CA9CA2CA1
SCHEMBL1413713 0.77 CXCR4 (0.48) HTR6L3MBTL1CYP3A4CYP2D6LMNA
SCHEMBL20564256 0.77 HTR6 (0.72) HTR6CA12CA9CA2CA1
SCHEMBL27757843 0.76 HTR6 (0.59) HTR6CA12CA9CA2CA1
SCHEMBL5356793 0.76 HTR6 (0.61) HTR6CA12CA9CA2CA1
SCHEMBL20561505 0.76 HTR6 (0.58) HTR6CA12CA9CA2CA1
SCHEMBL14451017 0.75 HTR6 (0.85) HTR6CA12CA9CA2CA1
SCHEMBL5350245 0.74 HTR6 (0.55) HTR6CA12CA9CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100396678-C Synthesis and use of indole analogues of 1-benzyl-3- (5 '-hydroxymethyl-2' -furyl) indazole IND TECH RES INST (CN) 2008-06-25 CN disclosed
US-7176230-B2 Synthesis of indole analogs of 1-benzyl-3-(5′-hydroxymethyl-2′-furyl) indazole (YC-1) as anti-platelet agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2007-02-13 US disclosed
CN-1827616-A Synthesis and use of indole analogues of 1-benzyl-3- (5 '-hydroxymethyl-2' -furyl) indazole IND TECH RES INST (CN) 2006-09-06 CN disclosed
US-20060106041-A1 Synthesis of indole analogs of 1-benzyl-3-(5'-hydroxymethy 1-2' -furyl) indazole (YC-1) as anti-platelet agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2006-05-18 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-20060106041-A1 Synthesis of indole analogs of 1-benzyl-3-(5'-hydroxymethy 1-2' -furyl) indazole (YC-1) as anti-platelet agents PFKP, HMOX1, TPH1 HTR6 85/4885CA12 4872/4885CA9 4463/4885

“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.