SCHEMBL4525587

SCHEMBL4525587

Cc1cc(-n2c(Cc3c(F)ccc(F)c3F)nc3c(ncn3C)c2=O)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRD9 Q9H8M2 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM1 Q13255 1/20 0.32
MAPK14 Q16539 3/20 0.32
F2RL3 Q96RI0 1/20 0.32
TRPA1 O75762 3/20 0.31
YTHDC1 Q96MU7 1/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4515398 0.92 GRM1 (0.37) BRD9POLBPDE4BPDE4DGRM1
SCHEMBL4519245 0.90 TP53 (0.37) MEN1KMT2ABRD9TP53POLB
SCHEMBL4514651 0.90 TP53 (0.37) MEN1KMT2ABRD9TP53POLB
SCHEMBL4513062 0.89 DRD1 (0.36) BRD9TP53POLBGRM1MAPK14
SCHEMBL4517182 0.88 TP53 (0.37) MEN1KMT2ABRD9TP53POLB
SCHEMBL4524591 0.87 POLB (0.36) BRD9TP53POLBALDH1A1LMNA
SCHEMBL4511040 0.86 LMNA (0.36) MEN1KMT2ABRD9POLBGRM1
SCHEMBL4526123 0.86 TSHR (0.35) BRD9TP53POLBGRM1MAPK14
SCHEMBL4526099 0.86 SMN1; SMN2 (0.38) MEN1KMT2AGRM1MAPK14ALDH1A1
SCHEMBL4518790 0.86 MAPK1 (0.39) MEN1KMT2ABRD9TP53MAPK14

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 MEN1 4509/4885KMT2A 4346/4885BRD9 1135/4885

“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.