SCHEMBL5443299

SCHEMBL5443299

O=c1c2ncccc2nc(SCCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTR6 P50406 1/20 0.45
PDE7A Q13946 3/20 0.43
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3C2A O00443 1/20 0.42

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
SCHEMBL5435571 0.97 PTGS2 (0.52) PTGS2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL5432316 0.92 MAOB (0.45) PTGS2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL5432200 0.92 MAOA (0.48) PTGS2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL5446865 0.86 MAOB (0.48) MAOBPDE7AKMT2APIK3C2A
SCHEMBL5437238 0.85 PTGS2 (0.46) PTGS2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL5426673 0.84 TP53 (0.54) PTGS2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL5433481 0.84 MAPT (0.50) TP53CYP1A2CYP2C9CYP2C19MAOA
SCHEMBL5436106 0.83 TP53 (0.51) PTGS2TP53PDE7A
SCHEMBL5435704 0.83 MAOB (0.46) TSHRMAOAMAOBPDE7AKMT2A
SCHEMBL5434767 0.81 ALDH1A2 (0.60) TP53

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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US claimed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 PTGS2 531/4885TP53 4137/4885CYP1A2 854/4885

“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.