SCHEMBL5357541

SCHEMBL5357541

c1ccc(Cn2cc(-c3cccs3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR6 P50406 2/20 0.48
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
KCNH2 Q12809 1/20 0.47
DYRK1A Q13627 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL27661373 0.86 CAMK2D (0.49) SIRT2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4754296 0.78 SIRT2 (0.61) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL5358145 0.75 SIRT2 (0.52) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL5354579 0.75 SIRT2 (0.49) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL5622616 0.74 SMN1; SMN2 (0.60) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL4162503 0.73 HPGD (0.56) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL28195485 0.73 GSK3B (0.66) ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL28297515 0.73 PRKCA (0.45) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7441184 0.72 F2RL3 (0.55) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL5355132 0.72 F2RL3 (0.62) SIRT2MEN1ALDH1A1TSHRKMT2A

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 SIRT2 2606/4885MEN1 1204/4885ALDH1A1 1624/4885

“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.