SCHEMBL4896908

SCHEMBL4896908

CC1=C(C(=O)O)C(c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.78
CYP1A2 P05177 4/20 0.78
CYP3A4 P08684 4/20 0.78
ADORA3 P0DMS8 4/20 0.78
CYP2C9 P11712 4/20 0.78
CYP2C19 P33261 4/20 0.78
CACNA1C Q13936 4/20 0.78
TSHR P16473 3/20 0.78
NFKB1 P19838 3/20 0.78
CYP2D6 P10635 2/20 0.78
KMT2A Q03164 2/20 0.78
MEN1 O00255 1/20 0.78
CACNA1F O60840 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1B Q00975 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCC4 O15439 1/20 0.44
PLIN1 O60240 1/20 0.44
GMNN O75496 1/20 0.44

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
SCHEMBL28830138 1.00 MAPT (0.78) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL10408513 1.00 MAPT (0.78) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL29394850 0.91 MAPT (0.78) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL2845539 0.87 CYP1A2 (1.00) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL718828 0.87 CYP1A2 (1.00) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL133106 0.87 CYP1A2 (1.00) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL29359402 0.87 CYP1A2 (1.00) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL30897545 0.87 CYP1A2 (1.00) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL9672747 0.86 CACNA1C (0.58) MAPTCYP1A2CYP3A4ADORA3CYP2C9
SCHEMBL7265346 0.85 CYP1A2 (0.80) MAPTCYP1A2CYP3A4ADORA3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458131-B2 Compounds and compositions used to epigenetically transform cells and methods related thereto EMORY UNIVERSITY (US) 2016-10-04 US claimed
US-20150259649-A1 CELLULAR COMPOSITIONS USED TO RESTORE STEM CELL OR PROGENITOR CELL FUNCTION AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-17 US claimed
US-20140294764-A1 COMPOUNDS AND COMPOSITIONS USED TO EPIGENETICALLY TRANSFORM CELLS AND METHODS RELATED THERETO ISTITUTO PASTEUR - FONDAZIONE CENCI BOLOGNETTI (IT) 2014-10-02 US claimed
US-20220168300-A1 Methods of Managing Vascular Conditions and Diabetic Peripheral Neuropathies UNIV EMORY (US) 2022-06-02 US disclosed
US-10828331-B2 Cellular compositions used to restore stem cell or progenitor cell function and methods related thereto EMORY UNIVERSITY (US) 2020-11-10 US disclosed
US-20170157178-A1 Cellular Compositions Used To Restore Stem Cell or Progenitor Cell Function and Methods Related Thereto UNIV EMORY (US) 2017-06-08 US disclosed
US-9458131-B2 Compounds and compositions used to epigenetically transform cells and methods related thereto EMORY UNIVERSITY (US) 2016-10-04 US disclosed
US-20150296779-A1 SUBSTITUTED DIHYDROPYRIDINES FOR SOMATIC EMBRYOGENESIS IN PLANTS STICHTING DIENST LANDBOUWKUNDIG ONDERZOEK (NL) 2015-10-22 US disclosed
US-20150259649-A1 CELLULAR COMPOSITIONS USED TO RESTORE STEM CELL OR PROGENITOR CELL FUNCTION AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-17 US disclosed
US-20140294764-A1 COMPOUNDS AND COMPOSITIONS USED TO EPIGENETICALLY TRANSFORM CELLS AND METHODS RELATED THERETO ISTITUTO PASTEUR - FONDAZIONE CENCI BOLOGNETTI (IT) 2014-10-02 US disclosed
US-8709804-B2 Method for drug screening and characterization by calcium flux CEDARS-SINAI MEDICAL CENTER (US) 2014-04-29 US disclosed
US-4804665-A NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-14 US disclosed
US-4764516-A Mixtures of optically active nitrodihydropyridines active on the circulatory system BAYER AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
EP-0273659-A1 Azaspiro compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed
EP-0218089-B1 OPTICALLY ACTIVE (METH)-ACRYL AMIDE, POLYMERS THEREOF, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE SEPARATION OF RACEMATES BAYER AG (DE) 1988-06-22 EP disclosed
EP-0071819-B1 DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1987-04-22 EP disclosed
EP-0186028-A2 Optically active nitrodihydropyridines, process for their preparation and their use in medicines BAYER AG (DE) 1986-07-02 EP disclosed
US-4532248-A Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0071819-A1 Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation BAYER AG (DE) 1983-02-16 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 (5 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-10828331-B2 Cellular compositions used to restore stem cell or progenitor cell function and methods related thereto BMI1, DNMT1, DNMT3A MAPT 3430/4885CYP1A2 4858/4885CYP3A4 4880/4885
US-20170157178-A1 Cellular Compositions Used To Restore Stem Cell or Progenitor Cell Function and Methods Related Thereto BMI1, DNMT1, DNMT3A MAPT 3430/4885CYP1A2 4858/4885CYP3A4 4880/4885
US-20140294764-A1 COMPOUNDS AND COMPOSITIONS USED TO EPIGENETICALLY TRANSFORM CELLS AND METHODS RELATED THERETO BMI1, DNMT3L, DNMT3B MAPT 2598/4885CYP1A2 2795/4885CYP3A4 3022/4885
US-20150259649-A1 CELLULAR COMPOSITIONS USED TO RESTORE STEM CELL OR PROGENITOR CELL FUNCTION AND METHODS RELATED THERETO BMI1, DNMT1, DNMT3A MAPT 3430/4885CYP1A2 4858/4885CYP3A4 4880/4885
US-20150296779-A1 SUBSTITUTED DIHYDROPYRIDINES FOR SOMATIC EMBRYOGENESIS IN PLANTS SALL4, KCNK4, CDKL4 MAPT 3825/4885CYP1A2 932/4885CYP3A4 324/4885

“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.