SCHEMBL3377681

SCHEMBL3377681

CCCCCOc1cc(C2=CC(=O)N=N2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.46
PDE4B Q07343 6/20 0.43
FPR2 P25090 1/20 0.42
CNR2 P34972 2/20 0.41
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40

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
SCHEMBL8974027 0.79 SMPD1 (0.58) SMPD1PDE4BFPR2PDE4APDE4C
SCHEMBL3374953 0.79 PDE4B (0.48) PDE4BFPR2PDE4APDE4CPDE4D
SCHEMBL3377680 0.78 PDE4B (0.38) PDE4BPDE4APDE4CPDE4D
SCHEMBL8975125 0.73 THRA (0.53) SMPD1FPR2CNR2
SCHEMBL2856448 0.70 PTPN11 (0.55) SMPD1FPR2
SCHEMBL28319408 0.70 PTPN11 (0.55) SMPD1FPR2
SCHEMBL1776071 0.70 PTPN11 (0.55) SMPD1FPR2
SCHEMBL13957128 0.70 PTPN11 (0.55) SMPD1FPR2
SCHEMBL27552799 0.68 SMPD1 (0.54) SMPD1PDE4BCNR2PDE4APDE4C
SCHEMBL22502366 0.68 GAA (0.57) SMPD1PDE4B

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-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI SMPD1 1889/4885PDE4B 1700/4885FPR2 2428/4885

“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.