SCHEMBL3275992

SCHEMBL3275992

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.39
ADRA2A P08913 1/20 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
SCHEMBL1665801 0.84 MAPT (0.46) MAPTALDH1A1LMNACA12CA1
SCHEMBL10844133 0.83 MAPT (0.40) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL6117534 0.82 MAPT (0.63) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL34473014 0.82 MAPT (0.44) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL10843127 0.82 MAPT (0.44) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL6529605 0.82 MAPT (0.44) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL169638 0.81 MAPT (0.66) MAPTALDH1A1LMNACA12CA1
SCHEMBL2653971 0.81 ATM (0.49) MAPTALDH1A1LMNACA12CA1
SCHEMBL19030217 0.80 ALDH1A1 (0.43) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL8702336 0.79 MAPT (0.47) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008330-B2 Tetraphenylporphyrin derivative KYOTO UNIVERSITY (JP) 2021-05-18 US disclosed
US-20200087315-A1 TETRAPHENYLPORPHYRIN DERIVATIVE KYOTO UNIVERSITY (JP) 2020-03-19 US disclosed
CN-110650962-A Tetraphenylporphyrin derivatives 国立大学法人京都大学 2020-01-03 CN disclosed
US-8999623-B2 Degradable neutral layers for block copolymer lithography applications WISCOUSIN ALUMNI RESEARCH FOUNDATION (US) 2015-04-07 US disclosed
US-20140263164-A1 DEGRADABLE NEUTRAL LAYERS FOR BLOCK COPOLYMER LITHOGRAPHY APPLICATIONS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-18 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-8569317-B2 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2013-10-29 US disclosed
US-7696216-B2 Aryl-quinazoline/aryl-2-amino-phenyl methanone derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
US-7696216-B2 Aryl-quinazoline/aryl-2-amino-phenyl methanone derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20100063075-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives ALTMANN EVA 2010-03-11 US disclosed
US-20100063075-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives ALTMANN EVA 2010-03-11 US disclosed
EP-1585521-B8 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-03-25 EP 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-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
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
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

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 MAPT 4239/4885ALDH1A1 3159/4885LMNA 1185/4885
US-11008330-B2 Tetraphenylporphyrin derivative PPOX, TTI2, TTI1 MAPT 1902/4885ALDH1A1 3196/4885LMNA 3462/4885
US-20100063075-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives PTH1R, PTMS, CYP24A1 MAPT 4229/4885ALDH1A1 3107/4885LMNA 1245/4885
US-20200087315-A1 TETRAPHENYLPORPHYRIN DERIVATIVE PPOX, TTI2, TTI1 MAPT 1902/4885ALDH1A1 3196/4885LMNA 3462/4885

“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.