SCHEMBL5433481

SCHEMBL5433481

O=c1c2ncccc2nc(SCc2cccc(Cl)c2)n1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.49
ALDH1A2 O94788 1/20 0.48
ALDH1A3 P47895 1/20 0.48
PDE7A Q13946 3/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL5434767 0.91 ALDH1A2 (0.60) MAPTTP53ALDH1A2ALDH1A3LMNA
SCHEMBL5432200 0.91 MAOA (0.48) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL5436106 0.89 TP53 (0.51) MAPTTP53PDE7ALMNASMN1; SMN2
SCHEMBL5433462 0.87 TP53 (0.49) MAPTTP53ALDH1A2ALDH1A3PDE7A
SCHEMBL5426673 0.85 TP53 (0.54) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL5443299 0.84 PTGS2 (0.47) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL5442023 0.83 PDE7A (0.65) KMT2ANPSR1TP53PDE7A
SCHEMBL5435571 0.83 PTGS2 (0.52) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL5432535 0.82 MAPT (0.51) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL5432449 0.80 NPC1 (0.52) MAPTHTTKMT2ANPSR1TP53

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 6 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
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP claimed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO 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
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO 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 MAPT 4636/4885MEN1 4674/4885CYP1A2 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.