SCHEMBL4425568

SCHEMBL4425568

Nc1ccc(-n2c(=O)[nH]c3cc(NC(=O)O)ccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.49
FEN1 P39748 2/20 0.49
ERCC4 Q92889 2/20 0.49
TP53 P04637 3/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 3/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 1/20 0.45
DNASE1 P24855 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL13635263 0.83 ERCC1 (0.46) ERCC1FEN1ERCC4TP53MAPT
SCHEMBL1162470 0.81 ALDH1A1 (0.49) ERCC1FEN1ERCC4TP53MAPT
SCHEMBL6982187 0.80 GAA (0.59) ERCC1FEN1ERCC4TP53MAPT
Isophthalic Acid SCHEMBL9859697 0.77 KDM4E (0.52) TP53MAPTRXFP1LMNAKMT2A
SCHEMBL681255 0.75 ALDH1A1 (0.56) TP53MAPTRXFP1LMNAKMT2A
SCHEMBL1548586 0.73 TP53 (0.62) ERCC1FEN1ERCC4TP53MAPT
SCHEMBL27637025 0.73 CA12 (0.46) ERCC1FEN1ERCC4TP53MAPT
SCHEMBL328468 0.72 KDM4E (0.49) FEN1TP53LMNAKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1548567 0.72 GAA (0.53) ERCC1FEN1ERCC4TP53MAPT
Hydrochloric Acid SCHEMBL251791 0.71 KDM4E (0.48) TP53LMNAKMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed
EP-1668002-A4 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2006-12-20 EP disclosed
US-7109332-B2 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1668002-A2 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-19 US disclosed
WO-2005032488-A2 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-14 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-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PFKP, DPP3, P2RY13 ERCC1 4555/4885FEN1 4415/4885ERCC4 4379/4885

“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.