SCHEMBL3277036

SCHEMBL3277036

C#CCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.46
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 3/20 0.41
CA4 P22748 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSTP1 P09211 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
BACE1 P56817 2/20 0.38

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
SCHEMBL6117534 0.81 MAPT (0.63) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL10843127 0.81 MAPT (0.44) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL6529605 0.81 MAPT (0.44) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL34473014 0.81 MAPT (0.44) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL27094332 0.79 SNCA (0.48) SNCAMAPTALDH1A1LMNACA12
SCHEMBL25532029 0.79 ATM (0.49) SNCAMAPTALDH1A1LMNACA12
SCHEMBL20982602 0.79 MAPT (0.66) SNCAMAPTALDH1A1LMNACA12
SCHEMBL19132891 0.79 MAPT (0.47) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL26220087 0.78 MAPT (0.49) SNCAMAPTALDH1A1LMNACA12
SCHEMBL1647554 0.78 MAPT (0.49) MAPTALDH1A1LMNAKDM4ECYP3A4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569317-B2 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2013-10-29 US disclosed
US-8569317-B2 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2013-10-29 US disclosed
US-8569317-B2 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2013-10-29 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
US-20100099670-A1 Benzoquinazoline derivatives WIDLER LEO 2010-04-22 US disclosed
EP-1585521-B1 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2008-06-18 EP disclosed
EP-1844780-A2 Derivatives of aryl-quinazoline/aryl-2-amino-phenyl methanone which promote the release of parathyroid hormone Novartis Pharma AG (CH) 2007-10-17 EP disclosed
EP-1844780-A2 Derivatives of aryl-quinazoline/aryl-2-amino-phenyl methanone which promote the release of parathyroid hormone Novartis Pharma AG (CH) 2007-10-17 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
US-20060079685-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2006-04-13 US disclosed
EP-1585521-A2 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2005-10-19 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
WO-2004056365-A2 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2004-07-08 WO disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 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 (4 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-20060079685-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives PTH1R, PTMS, CYP24A1 SNCA 3860/4885MAPT 4239/4885ALDH1A1 3159/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 SNCA 4799/4885MAPT 4506/4885ALDH1A1 3966/4885
US-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA SNCA 4793/4885MAPT 4192/4885ALDH1A1 2947/4885
US-20100099670-A1 Benzoquinazoline derivatives ABCG2, UGT2B7, CYP3A7 SNCA 2685/4885MAPT 2874/4885ALDH1A1 503/4885

“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.