SCHEMBL5435127

SCHEMBL5435127

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(SCCc3ccc(F)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.51
▸ MAOA P21397 7/20 0.51
▸ ALDH1A2 O94788 3/20 0.47
▸ ALDH1A3 P47895 3/20 0.47
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL5438632 0.95 MAOB (0.55) MAOBMAOAALDH1A2ALDH1A3MAPT
SCHEMBL5429798 0.90 MAOB (0.53) MAOBMAOAALDH1A2ALDH1A3TP53
SCHEMBL5431431 0.89 MAOB (0.54) MAOBMAOAALDH1A2ALDH1A3MEN1
SCHEMBL5434358 0.88 MAOB (0.47) MAOBMAOAALDH1A2ALDH1A3
SCHEMBL5432180 0.86 MAOB (0.43) MAOBMAOAALDH1A2ALDH1A3ALDH1A1
SCHEMBL5437170 0.84 MAOB (0.58) MAOBMAOAALDH1A2ALDH1A3ALDH1A1
SCHEMBL5431372 0.84 MAOA (0.43) MAOBMAOAALDH1A2ALDH1A3KMT2A
SCHEMBL5429219 0.83 ALDH1A2 (0.40) MAOBMAOAALDH1A2ALDH1A3KMT2A
SCHEMBL5437816 0.83 ALDH1A3 (0.68) ALDH1A2ALDH1A3TP53ALDH1A1
SCHEMBL5438225 0.82 MAOB (0.41) MAOBMAOAALDH1A2ALDH1A3KMT2A

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 MAOB 3067/4885MAOA 3455/4885ALDH1A2 1259/4885

“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.

Send feedback