SCHEMBL5429779

SCHEMBL5429779

COc1cc(-n2c(SCCC(F)(F)F)nc3c(ncn3C)c2=O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 1/20 0.34
CCR1 P32246 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5431789 0.88 GRM1 (0.36) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL5431688 0.87 MEN1 (0.33) TP53MEN1KMT2AALDH1A1
SCHEMBL5446878 0.86 BRD9 (0.39) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL5427442 0.85 CTSS (0.35) TP53MEN1KMT2AALDH1A1USP2
SCHEMBL5794935 0.85 MEN1 (0.40) TP53MEN1KMT2AALDH1A1GPBAR1
SCHEMBL5429219 0.85 ALDH1A2 (0.40) TP53KMT2ANPSR1
SCHEMBL5438652 0.83 CTSS (0.39) TP53MEN1KMT2AALDH1A1CCR1
SCHEMBL5432024 0.83 ALDH1A2 (0.34) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL5438500 0.82 MAOA (0.40) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL5431788 0.82 APLNR (0.40) TP53LMNAMEN1KMT2AALDH1A1

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 TP53 4137/4885LMNA 4257/4885MEN1 4674/4885

“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.