SCHEMBL5358145

SCHEMBL5358145

O=Cc1ccc(-c2cn(Cc3ccccc3)c3ccccc23)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 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
SCHEMBL5354579 0.79 SIRT2 (0.49) SIRT2PDE4APDE4BPDE4CPDE4D
SCHEMBL5357642 0.76 F2RL3 (0.58) SIRT2PDE4APDE4BPDE4CPDE4D
SCHEMBL5357541 0.75 SIRT2 (0.53) SIRT2PDE4APDE4BPDE4CPDE4D
SCHEMBL29377589 0.74 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL1418988 0.74 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4754296 0.74 SIRT2 (0.61) SIRT2PDE4APDE4BPDE4CPDE4D
SCHEMBL5354003 0.73 SIRT2 (0.51) SIRT2PDE4APDE4BPDE4CPDE4D
SCHEMBL5362846 0.73 DYRK1A (0.48) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL5355112 0.73 HTR6 (0.60) SMN1; SMN2CYP3A4CYP2D6CA12CA1
SCHEMBL3069801 0.73 PDE5A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B

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 2 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-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 2606/4885PDE4A 2647/4885PDE4B 2300/4885

“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.