SCHEMBL5166331

SCHEMBL5166331

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(N[C@H](CO)Cc3c[nH]cn3)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 2/20 0.31
CA9 Q16790 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
SCHEMBL5181201 1.00 POLB (0.36) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5165860 0.87 CA12 (0.38) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5168506 0.86 MAPT (0.43) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5168055 0.84 BDKRB1 (0.43) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5465229 0.83 PKM (0.40) POLBMAPTALDH1A1GAACA12
SCHEMBL5168261 0.82 MAPT (0.36) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5167870 0.81 KMT2A (0.39) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5166116 0.81 CA12 (0.37) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5179039 0.81 CA12 (0.37) POLBMAPTNPC1ALDH1A1GAA
SCHEMBL5460988 0.80 CA12 (0.36) POLBMAPTNPC1ALDH1A1GAA

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 POLB 3690/4885MAPT 2053/4885NPC1 895/4885

“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.