SCHEMBL6539012

SCHEMBL6539012

CC(C)n1nc(-c2cc(C(=O)O)c(Cl)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 1/20 0.37
PPARA Q07869 2/20 0.37
MAPT P10636 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
PTGS1 P23219 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DHODH Q02127 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6538335 0.92 CASP1 (0.42) POLBTP53KDM4ELMNAADORA2A
SCHEMBL6538930 0.90 POLB (0.42) POLBTP53KDM4EALDH1A1LMNA
SCHEMBL6539045 0.88 ALDH1A1 (0.44) POLBTP53KDM4EALDH1A1HPGD
SCHEMBL6920831 0.85 TP53 (0.39) POLBTP53KDM4EALDH1A1LMNA
SCHEMBL6538496 0.85 POLB (0.37) POLBTP53KDM4EALDH1A1LMNA
SCHEMBL6538492 0.85 POLB (0.37) POLBTP53KDM4EALDH1A1LMNA
SCHEMBL6538919 0.84 POLB (0.39) POLBTP53KDM4EALDH1A1HPGD
SCHEMBL6919912 0.83 TP53 (0.38) POLBTP53KDM4ELMNAADORA2A
SCHEMBL6538393 0.83 TP53 (0.36) POLBTP53KDM4EALDH1A1LMNA
SCHEMBL6538773 0.82 KMT2A (0.37) POLBTP53KDM4EHPGDMAPT

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 POLB 2406/4885TP53 3830/4885KDM4E 3052/4885

“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.