SCHEMBL5357642

SCHEMBL5357642

O=Cc1ccc(-c2cn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
KCNH2 Q12809 1/20 0.51
DYRK1A Q13627 1/20 0.51
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
PDE3B Q13370 4/20 0.49
PDE3A Q14432 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4754296 0.85 SIRT2 (0.61) F2RL3SIRT2KCNH2DYRK1APDE4A
SCHEMBL6115568 0.83 SIRT2 (0.46) F2RL3SIRT2PDE4APDE4BPDE4C
SCHEMBL5355132 0.81 F2RL3 (0.62) F2RL3SIRT2KCNH2DYRK1APDE4A
SCHEMBL15705721 0.81 HDAC1 (0.64) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL7441184 0.78 F2RL3 (0.55) F2RL3SIRT2KCNH2DYRK1APDE4A
SCHEMBL29377589 0.76 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL1418988 0.76 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL5358145 0.76 SIRT2 (0.52) F2RL3SIRT2PDE4APDE4BPDE4C
SCHEMBL5354003 0.75 SIRT2 (0.51) F2RL3SIRT2PDE4APDE4BPDE4C
Propionic Acid SCHEMBL19133584 0.75 F2RL3 (0.64) F2RL3SIRT2KCNH2DYRK1APDE4A

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 F2RL3 514/4885SIRT2 2606/4885KCNH2 3112/4885

“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.