SCHEMBL4517182

SCHEMBL4517182

Cc1cc(-n2c(Cc3ccc(Cl)cc3F)nc3c(ncn3C)c2=O)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
TRPA1 O75762 1/20 0.35
BRD9 Q9H8M2 2/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK14 Q16539 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGER1 P34995 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
SCHEMBL4518790 0.93 MAPK1 (0.39) TP53KMT2ABRD9MEN1MAPK14
SCHEMBL4519193 0.92 PDE4B (0.39) POLBKMT2AALDH1A1TSHRF2RL3
SCHEMBL4519245 0.91 TP53 (0.37) TP53POLBKMT2AALDH1A1F2RL3
SCHEMBL4520689 0.90 MAOB (0.37) TP53POLBKMT2AALDH1A1TSHR
SCHEMBL4520494 0.90 MAOB (0.38) POLBKMT2AALDH1A1TSHRF2RL3
SCHEMBL4521828 0.88 MAT2A (0.40) POLBKMT2AALDH1A1TSHRF2RL3
SCHEMBL4511396 0.88 MAPK1 (0.43) TP53KMT2AALDH1A1MAOBMEN1
SCHEMBL4525587 0.88 MEN1 (0.36) TP53POLBKMT2AALDH1A1F2RL3
SCHEMBL4776024 0.86 POLB (0.38) TP53POLBKMT2AALDH1A1TSHR
SCHEMBL4514651 0.86 TP53 (0.37) TP53POLBKMT2AALDH1A1TRPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 TP53 4385/4885POLB 4867/4885KMT2A 4346/4885

“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.