SCHEMBL5167618

SCHEMBL5167618

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(NCCO)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
PKM P14618 2/20 0.43
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GALR3 O60755 1/20 0.36
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36

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
SCHEMBL5463653 0.94 MAPT (0.47) MAPTPKMALDH1A1POLBLMNA
SCHEMBL5182233 0.90 MAPT (0.41) MAPTPKMPOLBCA12CA9
SCHEMBL5466675 0.88 LMNA (0.51) MAPTPKMALDH1A1POLBLMNA
SCHEMBL5181244 0.86 MAPT (0.47) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL5165184 0.86 CA12 (0.43) MAPTPKMALDH1A1POLBLMNA
SCHEMBL5165860 0.85 CA12 (0.38) MAPTALDH1A1POLBLMNACA12
SCHEMBL5166116 0.84 CA12 (0.37) MAPTALDH1A1POLBCA12CA9
SCHEMBL5179039 0.84 CA12 (0.37) MAPTALDH1A1POLBCA12CA9
SCHEMBL5469241 0.84 MEN1 (0.38) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL5166869 0.84 MAPT (0.37) MAPTPKMPOLBCA12CA9

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 2053/4885PKM 2529/4885ALDH1A1 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.