SCHEMBL7435510

SCHEMBL7435510

CC1=C(C(=O)O)C(c2cccnc2)C([N+](=O)[O-])=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.53
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
GAA P10253 5/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 4/20 0.42
ADORA3 P0DMS8 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CACNA1C Q13936 3/20 0.42
NFKB1 P19838 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41

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
SCHEMBL10661614 0.87 CYP3A4 (0.57) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL27286151 0.87 MAPT (0.55) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL9401812 0.87 CACNA1B (0.65) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL10635540 0.86 MAPT (0.39) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL10664938 0.86 MAPT (0.44) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL11013178 0.85 CACNA1F (0.59) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL11314878 0.84 ALDH1A1 (0.44) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL28762620 0.81 CACNA1B (0.51) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL7267468 0.80 CACNA1B (0.47) CACNA1BMAPTALDH1A1GAAHPGD
SCHEMBL7272316 0.80 CACNA1F (0.62) CACNA1BMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088056-A1 CARDIAC GLYCOSIDES ARE POTENT INHIBITORS OF INTERFERON-BETA GENE EXPRESSION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-27 US claimed
US-5580871-A FOR TREATMENT OF CONGESTIVE HEART FAILURE THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-03 US claimed
US-11963964-B2 Small molecules for mouse satellite cell proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-23 US disclosed
US-11026952-B2 Small molecules for mouse satellite cell proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-08 US disclosed
US-20200352957-A1 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2020-11-12 US disclosed
US-10660902-B2 Method of increasing satellite cell proliferation with an HDAC inhibitor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-05-26 US disclosed
EP-3411040-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION President and Fellows of Harvard College (US) 2018-12-12 EP disclosed
US-20180153902-A1 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION HOWARD HUGHES MEDICAL INSTITUTE 2018-06-07 US disclosed
US-9782417-B2 Methods of increasing satellite cell proliferation with kinase inhibitors PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-10 US disclosed
WO-2017136480-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-10 WO disclosed
US-20160220580-A1 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-04 US disclosed
US-20120310140-A1 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-12-06 US disclosed
US-5580871-A FOR TREATMENT OF CONGESTIVE HEART FAILURE THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-03 US disclosed
US-5432188-A Treating congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-11 US disclosed
EP-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 US disclosed
US-5166147-A Congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed
EP-0458823-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. BOEHRINGER MANNHEIM ITALIA (IT) 1991-12-04 EP disclosed
WO-1990009376-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-23 WO disclosed
EP-0383320-A1 A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-22 EP 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 (7 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-11026952-B2 Small molecules for mouse satellite cell proliferation MKI67, MYLK2, MYH2 CACNA1B 2567/4885MAPT 4150/4885ALDH1A1 2684/4885
US-10660902-B2 Method of increasing satellite cell proliferation with an HDAC inhibitor HDAC4, HDAC1, HDAC5 CACNA1B 3247/4885MAPT 3910/4885ALDH1A1 1712/4885
US-20180153902-A1 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION MKI67, MYLK2, MYH2 CACNA1B 2242/4885MAPT 4009/4885ALDH1A1 2772/4885
US-11963964-B2 Small molecules for mouse satellite cell proliferation MKI67, MYLK2, MYH2 CACNA1B 2567/4885MAPT 4150/4885ALDH1A1 2684/4885
US-20200352957-A1 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION MKI67, MYLK2, MYH2 CACNA1B 2242/4885MAPT 4009/4885ALDH1A1 2772/4885
US-20160220580-A1 SMALL MOLECULE SCREENING FOR MOUSE SATELLITE CELL PROLIFERATION MKI67, MYLK2, MYH2 CACNA1B 2242/4885MAPT 4009/4885ALDH1A1 2772/4885
US-20140088056-A1 CARDIAC GLYCOSIDES ARE POTENT INHIBITORS OF INTERFERON-BETA GENE EXPRESSION IRF3, IFNG, STING1 CACNA1B 135/4885MAPT 4814/4885ALDH1A1 4075/4885

“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.