SCHEMBL5434705

SCHEMBL5434705

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(SCCc3ccc(C(F)(F)F)cc3Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 7/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.35
CNR1 P21554 2/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
TP53 P04637 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ANXA2 P07355 1/20 0.34
S100A10 P60903 1/20 0.34

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
SCHEMBL5429529 0.94 DDR1 (0.38) DDR1MAOBMAOACTSSCTSK
SCHEMBL5432523 0.92 MAOB (0.37) DDR1MAOBMAOAALDH1A2ALDH1A3
SCHEMBL5426687 0.91 CYP1A2 (0.40) MAOBMAOACNR1ALDH1A2ALDH1A3
SCHEMBL5429455 0.91 MAOB (0.40) DDR1MAOBMAOAALDH1A2ALDH1A3
SCHEMBL5437043 0.88 MAT2A (0.42) MAOBMAOAALDH1A2ALDH1A3TP53
SCHEMBL5429829 0.88 MAOB (0.50) MAOBMAOAALDH1A2ALDH1A3TP53
SCHEMBL5440484 0.85 DDR1 (0.39) DDR1MAOBMAOATP53
SCHEMBL5431686 0.83 MAOB (0.40) DDR1MAOBMAOAALDH1A2ALDH1A3
SCHEMBL5434559 0.83 MAOA (0.39) MAOBMAOACNR1ALDH1A2ALDH1A3
SCHEMBL5437860 0.82 MAOB (0.52) MAOBMAOAALDH1A2ALDH1A3TP53

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 DDR1 725/4885MAOB 3067/4885MAOA 3455/4885

“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.