SCHEMBL5168261

SCHEMBL5168261

CCCCC(CO)Nc1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
PKM P14618 1/20 0.32
BDKRB1 P46663 1/20 0.32
HCAR3 P49019 1/20 0.31
VCAM1 P19320 2/20 0.31

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
SCHEMBL5165860 0.92 CA12 (0.38) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5168506 0.91 MAPT (0.43) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5166116 0.85 CA12 (0.37) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5179039 0.85 CA12 (0.37) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5168055 0.84 BDKRB1 (0.43) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5460988 0.84 CA12 (0.36) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5179791 0.83 BDKRB1 (0.39) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5469340 0.83 BDKRB1 (0.39) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5179797 0.83 BDKRB1 (0.39) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5179666 0.82 CA12 (0.38) MAPTALDH1A1CA12CA9HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 MAPT 2053/4885POLB 3690/4885ALDH1A1 460/4885

“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.