SCHEMBL4415459

SCHEMBL4415459

COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ATR Q13535 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
PRMT1 Q99873 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PGR P06401 1/20 0.41
CYP3A4 P08684 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
SCHEMBL3576370 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL14233185 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL13832427 0.83 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1697905 0.83 RAB9A (0.61) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7448057 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL31318481 0.82 SIRT6 (0.40) ALDH1A1MEN1KMT2AKDM4EATR
SCHEMBL9116516 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL22897658 0.82 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL396839 0.82 MAPK1 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL79068 0.82 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTNPC1

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 7 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-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 ALDH1A1 1462/4885MEN1 4319/4885KMT2A 3152/4885

“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.