SCHEMBL5178756

SCHEMBL5178756

CN(CCO)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 4/20 0.40
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
VCAM1 P19320 1/20 0.32
HCAR3 P49019 1/20 0.32
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 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
SCHEMBL5168417 0.91 CA12 (0.38) ALDH1A1KDM4EMAPTCA12CA9
SCHEMBL5167310 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTCA12CA9
SCHEMBL5168498 0.85 TDP1 (0.36) ALDH1A1KDM4ECA12CA9VCAM1
SCHEMBL5168256 0.83 VCAM1 (0.37) ALDH1A1KDM4EMAPTCA12CA9
SCHEMBL5165241 0.82 CA12 (0.36) CA12CA9
SCHEMBL5460982 0.82 CA12 (0.35) ALDH1A1KDM4EMAPTCA12CA9
SCHEMBL5167618 0.80 MAPT (0.54) ALDH1A1MAPTCA12CA9KMT2A
SCHEMBL5166116 0.78 CA12 (0.37) ALDH1A1MAPTCA12CA9HCAR3
SCHEMBL5179039 0.78 CA12 (0.37) ALDH1A1MAPTCA12CA9HCAR3
SCHEMBL5463653 0.78 MAPT (0.47) ALDH1A1MAPTCA12CA9KMT2A

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 ALDH1A1 460/4885KDM4E 1450/4885MAPT 2053/4885

“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.