SCHEMBL5167545

SCHEMBL5167545

COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
GALR2 O43603 1/20 0.56
MITF O75030 1/20 0.56
POLB P06746 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
CCR6 P51684 1/20 0.56
AR P10275 6/20 0.43
CYP3A4 P08684 2/20 0.43
CES2 O00748 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5168011 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL25504517 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL13088438 0.84 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL14854666 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL24065737 0.81 PDGFRB (0.45) SMN1; SMN2ALDH1A1LMNAARCYP3A4
SCHEMBL6597670 0.81 AR (0.47) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL7474176 0.80 LMNA (0.60) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL26631746 0.80 NPSR1 (0.60) SMN1; SMN2ALDH1A1LMNANPSR1GALR2
SCHEMBL2390749 0.80 CFTR (0.62) SMN1; SMN2ALDH1A1LMNAHPGDAR
SCHEMBL5166870 0.80 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1LMNANPSR1GALR2

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 9 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-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
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 3684/4885ALDH1A1 460/4885LMNA 3184/4885

“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.