SCHEMBL6645754

SCHEMBL6645754

COn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
CA9 Q16790 2/20 0.62
ADORA3 P0DMS8 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
CA12 O43570 1/20 0.56
RNASEH1 O60930 1/20 0.56
ERCC1 P07992 1/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
ERCC4 Q92889 1/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPEPPS P55786 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL15798127 0.78 SMN1; SMN2 (0.53) ALDH1A1CA9ADORA3ADORA1CYP1A2
SCHEMBL30293225 0.78 SMN1; SMN2 (0.53) ALDH1A1CA9ADORA3ADORA1CYP1A2
SCHEMBL430775 0.76 ADORA3 (1.00) ALDH1A1CA9ADORA3ADORA2AADORA2B
SCHEMBL29897963 0.76 ADORA3 (1.00) ALDH1A1CA9ADORA3ADORA2AADORA2B
SCHEMBL22251594 0.74 ALDH1A1 (0.47) ALDH1A1CA9ADORA3ADORA2AADORA2B
SCHEMBL6668697 0.72 CA9 (0.59) ALDH1A1CA9CA12FEN1HPGD
SCHEMBL22716785 0.72 CYP1A2 (0.65) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL31189218 0.72 CYP1A2 (0.65) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1520708 0.72 FEN1 (1.00) ALDH1A1CA9ADORA3ADORA2AADORA2B
SCHEMBL19577287 0.72 ALDH1A1 (0.61) ALDH1A1CA9ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 ALDH1A1 781/4885CA9 3346/4885ADORA3 2223/4885

“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.