SCHEMBL5432477

SCHEMBL5432477

O=c1c2ncsc2nc(SCCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ TGM2 P21980 1/20 0.39
▸ TP53 P04637 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL5438815 0.82 MAOA (0.43) MAOAMAOBTP53LMNAPTGS2
SCHEMBL5429559 0.81 ALDH1A3 (0.59) TP53LMNASMN1; SMN2MAPT
SCHEMBL5426973 0.81 MAPT (0.52) TGM2TP53LMNASMN1; SMN2CYP1A2
SCHEMBL5443299 0.78 PTGS2 (0.47) MAOAMAOBTP53PTGS2CYP1A2
SCHEMBL5438632 0.77 MAOB (0.55) MAOAMAOBTSHRMAPT
SCHEMBL5432243 0.76 PTGS2 (0.38) TGM2TP53LMNAPTGS2SMN1; SMN2
SCHEMBL5435571 0.75 PTGS2 (0.52) TP53LMNAPTGS2SMN1; SMN2CYP1A2
SCHEMBL5435127 0.73 MAOB (0.51) MAOAMAOBTP53TSHRKMT2A
SCHEMBL5432316 0.72 MAOB (0.45) MAOAMAOBTP53PTGS2CYP1A2
SCHEMBL5429798 0.71 MAOB (0.53) MAOAMAOBTP53LMNATSHR

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 MAOA 3455/4885MAOB 3067/4885TGM2 4444/4885

“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