SCHEMBL5356793

SCHEMBL5356793

O=S(=O)(c1ccccc1)n1cc(-c2ccc(CO)s2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.61
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
DRD2 P14416 2/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
PLK1 P53350 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL5355112 0.80 HTR6 (0.60) HTR6CA12CA9CA1CA2
SCHEMBL5350245 0.79 HTR6 (0.55) HTR6CA12CA9CA1CA2
SCHEMBL3644542 0.77 HTR6 (1.00) HTR6CA12CA9CA1CA2
SCHEMBL946691 0.76 HTR6 (0.75) HTR6DRD2LMNASMN1; SMN2HTR1A
SCHEMBL5359254 0.76 HTR6 (0.61) HTR6CA12CA9CA1CA2
SCHEMBL5358790 0.76 HTR6 (0.65) HTR6CA12CA9CA1CA2
SCHEMBL27757843 0.74 HTR6 (0.59) HTR6CA12CA9CA1CA2
SCHEMBL5354623 0.74 HTR6 (0.52) HTR6CA12CA9CA1CA2
SCHEMBL5354579 0.73 SIRT2 (0.49) HTR6CA12CA9CA1CA2
SCHEMBL14451017 0.73 HTR6 (0.85) HTR6CA12CA9CA1CA2

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 9 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 claimed
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 claimed
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 claimed
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 claimed
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
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.