SCHEMBL5349372

SCHEMBL5349372

O=S(=O)(c1ccccc1)n1cc(-c2ccco2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.65
L3MBTL1 Q9Y468 1/20 0.58
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
DRD2 P14416 4/20 0.50
HTR2A P28223 3/20 0.50
HTR7 P34969 3/20 0.50
HTR1A P08908 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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) HTR6L3MBTL1CA12CA9CA2
SCHEMBL1413812 0.77 CXCR4 (0.48) HTR6L3MBTL1LMNASMN1; SMN2
SCHEMBL5364343 0.76 HTR6 (0.59) HTR6L3MBTL1CA12CA9CA2
SCHEMBL5359254 0.76 HTR6 (0.61) HTR6L3MBTL1CA12CA9CA2
SCHEMBL14451017 0.75 HTR6 (0.85) HTR6L3MBTL1CA12CA9CA2
SCHEMBL27747002 0.75 HTR6 (0.65) HTR6L3MBTL1CA12CA9CA2
SCHEMBL1997547 0.74 HTR6 (0.63) HTR6L3MBTL1CA12CA9CA2
SCHEMBL21959033 0.73 HTR6 (0.74) HTR6L3MBTL1CA12CA9CA2
SCHEMBL5359931 0.73 HTR6 (0.54) HTR6L3MBTL1CA12CA9CA2
SCHEMBL724446 0.72 HTR6 (0.65) HTR6L3MBTL1CA12CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 85/4885L3MBTL1 3005/4885CA12 4872/4885

“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.