SCHEMBL5166126

SCHEMBL5166126

COC(=O)c1cc(-n2ccccc2=O)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
SIRT6 Q8N6T7 1/20 0.39
CYP3A4 P08684 5/20 0.37
CYP1A2 P05177 4/20 0.37
ADORA3 P0DMS8 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 3/20 0.37
NFKB1 P19838 2/20 0.37
CACNA1C Q13936 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 2/20 0.35

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
SCHEMBL5167760 0.82 CFTR (0.53) MAPTTSHRALDH1A1GLAALOX15
SCHEMBL13825554 0.81 RECQL (0.36) MEN1KMT2AALDH1A1LMNAGLA
SCHEMBL2597282 0.79 ALDH1A1 (0.56) SMN1; SMN2SIRT6CYP3A4CYP1A2ADORA3
SCHEMBL5624516 0.78 SIRT6 (0.58) SIRT6MEN1KMT2AMAPTALDH1A1
SCHEMBL5168841 0.77 SIRT6 (0.47) SMN1; SMN2SIRT6CYP3A4CYP1A2CYP2C9
SCHEMBL2597417 0.74 CFTR (0.43) SMN1; SMN2SIRT6CYP3A4CYP1A2ADORA3
SCHEMBL5166296 0.74 MAPT (0.48) SMN1; SMN2SIRT6CYP2C9CYP2C19MEN1
SCHEMBL5167802 0.74 SIRT6 (0.45) SIRT6CYP3A4MAPTALDH1A1LMNA
SCHEMBL13825597 0.73 CFTR (0.38)
SCHEMBL5167327 0.72 SMN1; SMN2 (0.37) SMN1; SMN2SIRT6KMT2AMAPTALDH1A1

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-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
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
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 SMN1; SMN2 3684/4885SIRT6 749/4885CYP3A4 3/4885

“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.