SCHEMBL7036764

SCHEMBL7036764

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)sc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.55
MAPT P10636 7/20 0.55
TRPA1 O75762 2/20 0.54
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
ROS1 P08922 1/20 0.49
RPS6KB1 P23443 1/20 0.49
MAPK1 P28482 1/20 0.49
FLT4 P35916 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
IRAK1 P51617 1/20 0.49
PRKX P51817 1/20 0.49

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
SCHEMBL6258474 0.95 POLB (0.52) TP53MAPTTRPA1POLBLMNA
SCHEMBL7037451 0.91 TRPA1 (0.54) TP53MAPTTRPA1POLBLMNA
SCHEMBL6257817 0.90 TRPA1 (0.66) TP53MAPTTRPA1RXFP1PLK4
SCHEMBL7032494 0.90 CLK1 (0.53) TP53MAPTPOLBRXFP1ALDH1A1
SCHEMBL7023804 0.90 TRPA1 (0.54) TP53MAPTTRPA1POLBLMNA
SCHEMBL7037571 0.89 HPGD (0.48) TP53MAPTTRPA1POLBRXFP1
SCHEMBL7039218 0.88 POLB (0.55) MAPTPOLBRXFP1MAPK1THRB
SCHEMBL7019449 0.86 RXFP1 (0.64) TP53MAPTPOLBRXFP1TDP1
SCHEMBL7032109 0.85 MAPT (0.54) TP53MAPTPOLBRXFP1THRB
SCHEMBL6245168 0.85 TRPA1 (0.62) MAPTTRPA1LMNARXFP1MAPK1

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TP53 4652/4885MAPT 4800/4885TRPA1 3888/4885

“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.