SCHEMBL5445385

SCHEMBL5445385

O=C(CSc1nc2cccnc2c(=O)n1-c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 8/20 0.46
CYP2D6 P10635 2/20 0.46
GAA P10253 2/20 0.46
CCR6 P51684 1/20 0.46
LMNA P02545 6/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5437295 1.00 MAPT (0.49) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5440327 0.92 MAPT (0.55) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5436162 0.89 MAPT (0.60) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5437988 0.89 MAPT (0.47) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5430074 0.85 MAPT (0.49) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5432535 0.84 MAPT (0.51) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5432316 0.83 MAOB (0.45) TP53CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5426131 0.82 CYP1A2 (0.54) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5437104 0.81 CYP1A2 (0.53) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL5437238 0.79 PTGS2 (0.46) TP53CYP1A2CYP3A4CYP2C9CYP2C19

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 4 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

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 4636/4885TP53 4137/4885CYP1A2 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.