SCHEMBL5433642

SCHEMBL5433642

Cc1csc2c(=O)n(-c3ccc(Cl)cc3)c(SCCC(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
FADS1 O60427 1/20 0.37
TGM2 P21980 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.36
HTR6 P50406 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM1 Q13255 1/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
PDE7A Q13946 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE11A Q9HCR9 1/20 0.35

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
SCHEMBL4516570 0.80 POLB (0.41) POLBMAPTGRM1KMT2ANPSR1
SCHEMBL5438823 0.80 POLB (0.56) POLBMAPTTP53KMT2AMEN1
SCHEMBL5431417 0.80 POLB (0.40) POLBMAPTGRM1KMT2ANPSR1
SCHEMBL4756615 0.79 KMT2A (0.41) MAPTTP53HTR6PTGS2KMT2A
SCHEMBL4083046 0.78 POLB (0.46) POLBMAPTGRM1KMT2ANPSR1
SCHEMBL5431768 0.78 ALDH1A2 (0.42) POLBMAPTTP53KMT2AMEN1
SCHEMBL5437892 0.78 ALDH1A3 (0.60) POLBMAPTTP53KMT2AMEN1
SCHEMBL1992040 0.76 POLB (0.51) POLBMAPTGRM1KMT2ANPSR1
SCHEMBL5432487 0.76 KDM1A (0.43) PTGS2KMT2ANPSR1
SCHEMBL5429219 0.74 ALDH1A2 (0.40) FADS1MAPTTP53HTR6PTGS2

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 POLB 4218/4885FADS1 2383/4885TGM2 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.