SCHEMBL6539233

SCHEMBL6539233

COC(=O)c1cc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA3 P34903 3/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.37
AXL P30530 1/20 0.36
GABRA2 P47869 2/20 0.36
GABRA5 P31644 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL6539527 0.89 TP53 (0.39) TP53POLBALDH1A1MAPTCASP3
SCHEMBL6539032 0.88 TP53 (0.38) TP53POLBMEN1KMT2AMAPT
SCHEMBL6538457 0.80 MAPT (0.41) GABRA1GABRG2GABRB3GABRA3TP53
SCHEMBL6538930 0.79 POLB (0.42) GABRA1GABRG2GABRB3GABRA3TP53
SCHEMBL6538824 0.78 MEN1 (0.39) GABRA1GABRG2GABRB3GABRA3TP53
SCHEMBL6539726 0.78 HPGD (0.48) TP53POLBMEN1KMT2AALDH1A1
SCHEMBL6538650 0.77 MAPT (0.39) GABRA1GABRG2GABRB3GABRA3TP53
SCHEMBL6538316 0.77 TP53 (0.39) GABRA1GABRG2GABRB3GABRA3TP53
SCHEMBL6538327 0.77 MAPT (0.38) GABRA1GABRG2GABRB3GABRA3TP53
SCHEMBL6538780 0.76 MEN1 (0.37) GABRA1GABRG2GABRB3GABRA3TP53

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 GABRA1 2099/4885GABRG2 3675/4885GABRB3 3020/4885

“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.