SCHEMBL718828

SCHEMBL718828

COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 1.00
ADORA3 P0DMS8 5/20 1.00
MAPT P10636 5/20 1.00
CACNA1C Q13936 5/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2C9 P11712 4/20 1.00
CYP2C19 P33261 4/20 1.00
TSHR P16473 3/20 1.00
NFKB1 P19838 3/20 1.00
CYP2D6 P10635 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
CACNA1F O60840 3/20 0.62
CACNA1D Q01668 3/20 0.62
CACNA1S Q13698 3/20 0.62
ABCC4 O15439 2/20 0.61
ABCB11 O95342 2/20 0.61
LMNA P02545 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA1 P30542 2/20 0.61

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
SCHEMBL2845539 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL30897545 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL29359402 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL133106 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL14612812 0.90 CYP1A2 (0.82) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL7265346 0.89 CYP1A2 (0.80) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL11369967 0.89 CYP1A2 (0.79) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL11004406 0.89 CYP1A2 (0.79) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL7272013 0.88 MAPT (0.79) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL28830138 0.87 MAPT (0.78) CYP1A2ADORA3MAPTCACNA1CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594257-B2 Means and methods for improving anti-tumoral efficacy of transmembrane channel protein blockers ARDAN PHARMA S.A.S. (AR) 2026-04-07 US claimed
US-20240148687-A1 MEANS AND METHODS FOR IMPROVING ANTI-TUMORAL EFFICACY OF TRANSMEMBRANE CHANNEL PROTEIN BLOCKERS ARDAN PHARMA S.A.S. (AR) 2024-05-09 US claimed
US-11246858-B2 Immunoresponsive methods of treating tumors INSTITUT PASTEUR DE MONTEVIDEO (UY) 2022-02-15 US claimed
US-12624342-B2 Methods for reprogramming cells and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2026-05-12 US disclosed
US-12594257-B2 Means and methods for improving anti-tumoral efficacy of transmembrane channel protein blockers ARDAN PHARMA S.A.S. (AR) 2026-04-07 US disclosed
US-12263143-B2 Ionic channel modulation as a method for treating tumors through inflammasome activation INSTITUT PASTEUR DE MONTEVIDEO (UY) 2025-04-01 US disclosed
WO-2024163615-A1 BRAIN-DERIVED NEUROTROPHIC FACTOR-NANO LUCIFERASE TRANSGENIC RODENTS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 WO disclosed
US-12024722-B2 Methods for reprogramming cells and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2024-07-02 US disclosed
US-20240148687-A1 MEANS AND METHODS FOR IMPROVING ANTI-TUMORAL EFFICACY OF TRANSMEMBRANE CHANNEL PROTEIN BLOCKERS ARDAN PHARMA S.A.S. (AR) 2024-05-09 US disclosed
EP-4346775-A1 MEANS AND METHODS FOR IMPROVING ANTI-TUMORAL EFFICACY OF TRANSMEMBRANE CHANNEL PROTEIN BLOCKERS Ardan Pharma S.a.s. (AR) 2024-04-10 EP disclosed
US-11795439-B2 Methods for reprogramming cells and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2023-10-24 US disclosed
US-8268795-B2 Emergence of a R-type CA2+ channel (CAV 2.3) contributes to cerebral artery constriction following subarachnoid hemorrhage UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2012-09-18 US disclosed
US-20120053120-A1 TREATMENT OF SUBARACHNOID HEMORRHAGE WITH APO E ANALOGS COGNOSCI, INC. (US) 2012-03-01 US disclosed
US-8034762-B2 Treatment of subarachnoid hemorrhage with Apo E analogs COGNOSCI, INC. (US) 2011-10-11 US disclosed
US-20110086903-A1 EMERGENCE OF A R-TYPE CA2+ CHANNEL (CAV 2.3) CONTRIBUTES TO CEREBRAL ARTERY CONSTRICTION FOLLOWING SUBARACHNOID HEMORRHAGE NATIONAL INSTITUTES OF HEALTH 2011-04-14 US disclosed
US-7829527-B2 Emergence of a R-type Ca2+ channel (Cav 2.3) contributes to cerebral artery constriction following subarachnoid hemorrhage UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2010-11-09 US disclosed
US-20100028912-A1 IMAGING USING RADIOACTIVE MONOCATIONS IN COMBINATION WITH A RECEPTOR BINDING LIGAND THAT STIMULATES THE INFLUX OF CATIONS BRACCO IMAGING S.P.A. (IT) 2010-02-04 US disclosed
US-20090131315-A1 Treatment of Subarachnoid Hemorrhage With APO E Analogs CORNERSTONE BIOSCIENCES, INC. 2009-05-21 US disclosed
WO-2008082545-A2 IMAGING USING RADIOACTIVE MONOCATIONS IN COMBINATION WITH A RECEPTOR BINDING LIGAND THAT STIMULATES THE INFLUX OF CATIONS BRACCO IMAGING S.P.A. (IT) 2008-07-10 WO disclosed
US-20060229269-A1 Emergence of a R-type Ca²+ channel (Cav 2.3) contributes to cerebral artery constriction following subarachnoid hemorrhage UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-10-12 US 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 (2 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-12624342-B2 Methods for reprogramming cells and uses thereof DNMT3B, TRDMT1, MECP2 CYP1A2 4669/4885ADORA3 4538/4885MAPT 4435/4885
US-12594257-B2 Means and methods for improving anti-tumoral efficacy of transmembrane channel protein blockers TMEM94, TMEM126A, TMEM41B CYP1A2 3844/4885ADORA3 4451/4885MAPT 3530/4885

“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.