SCHEMBL5438815

SCHEMBL5438815

O=c1c2scnc2nc(SCCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ TP53 P04637 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 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
▸ GPR84 Q9NQS5 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A2 O94788 1/20 0.36
▸ ALDH1A3 P47895 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
SCHEMBL5432477 0.82 MAOA (0.46) MAOAMAOBTP53MAPTPTGS2
SCHEMBL5438825 0.81 ALDH1A2 (0.59) TP53MAPTLMNASMN1; SMN2POLB
SCHEMBL5428952 0.81 MAPT (0.50) TP53MAPTLMNASMN1; SMN2POLB
SCHEMBL5443299 0.73 PTGS2 (0.47) MAOAMAOBTP53PTGS2CYP1A2
SCHEMBL5438632 0.72 MAOB (0.55) MAOAMAOBMAPTTSHRHTT
SCHEMBL5435571 0.70 PTGS2 (0.52) TP53PTGS2LMNASMN1; SMN2CYP1A2
SCHEMBL5435127 0.69 MAOB (0.51) MAOAMAOBTP53MAPTTSHR
SCHEMBL5432316 0.68 MAOB (0.45) MAOAMAOBTP53PTGS2CYP1A2
SCHEMBL5426659 0.67 ALDH1A1 (0.51) MAOBTP53MAPTLMNASMN1; SMN2
SCHEMBL5429798 0.67 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 3067/4885TP53 4137/4885

“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.

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