SCHEMBL2353804

SCHEMBL2353804

NC(=O)C1=CC=CN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
ADRA1D P25100 2/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
PLA2G10 O15496 2/20 0.37
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
MEN1 O00255 1/20 0.36

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
Trifluoromethanesulfonic Acid SCHEMBL5671253 0.89 MAPK1 (0.36) PARP1ADRA1DCCNCCDK8GAA
SCHEMBL2805436 0.88 CCR2 (0.39) GAAKMT2AALDH1A1CYP2D6MEN1
SCHEMBL27814642 0.85 LMNA (0.43) KMT2AALDH1A1CYP2D6HDAC8
SCHEMBL5673745 0.81 BRD4 (0.43) GAAALDH1A1
Trichloroacetic Acid SCHEMBL27834532 0.79 LMNA (0.39) KMT2AALDH1A1CYP2D6HDAC8
SCHEMBL6700044 0.79 KDM4E (0.40) ALDH1A1
Trifluoroacetic Acid SCHEMBL27834531 0.78 LMNA (0.38) CYP2D6HDAC8
SCHEMBL9640334 0.77 CYP2D6 (0.35) GAAKMT2AALDH1A1CYP2D6MEN1
SCHEMBL4726227 0.76 SIGMAR1 (0.39) KMT2AALDH1A1
SCHEMBL5680158 0.76 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938667-A Enzyme electrode, biosensor, preparation method and application thereof 中国科学院天津工业生物技术研究所 2020-03-31 CN claimed
EP-2349328-A1 METHODS FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-08-03 EP claimed
US-12331003-B2 Photochemical separations and compositions The Florida State University Research Foundation, Inc. (US) 2025-06-17 US disclosed
US-12053765-B2 Selective carbon dioxide reduction catalyzed by single metal sites on carbon nitride under visible light irradiation UNIVERSITY OF NEW HAMPSHIRE (US) 2024-08-06 US disclosed
WO-2024098042-A2 GROWTH-BASED SELECTION PLATFORM FOR NONCANONICAL COFACTOR OXIDIZING ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-10 WO disclosed
US-20230322857-A1 RECOMBINANTLY ENGINEERED POLYPEPTIDES CAPABLE OF RECYCLING NONCANONICAL COFACTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20230278939-A1 Photochemical Separations and Compositions The Florida State University Research Foundation, Inc. 2023-09-07 US disclosed
US-11591277-B2 Photochemical separations and compositions The Florida State University Research Foundation, Inc. (US) 2023-02-28 US disclosed
EP-3655380-B1 PHOTOCHEMICAL SEPARATIONS AND COMPOSITIONS UNIV FLORIDA STATE RES FOUND INC (US) 2021-12-22 EP disclosed
US-20200376475-A1 SELECTIVE CARBON DIOXIDE REDUCTION CATALYZED BY SINGLE METAL SITES ON CARBON NITRIDE UNDER VISIBLE LIGHT IRRADIATION UNIVERSITY OF NEW HAMPSHIRE (US) 2020-12-03 US disclosed
US-20200172450-A1 Photochemical Separations and Compositions UNITED STATES DEPARTMENT OF ENERGY 2020-06-04 US disclosed
US-20040235084-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions ENERGY, UNITED STATES DEPARTMENT OF 2004-11-25 US disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed
US-6716596-B2 biomimic cofactor; 3-substituted pyridium compounds; nicotinamides N-substituted with benzyl or polyoxyethylene glycol derivatives; bipyridyl rhodium hydride complex catalyst for reduction of the cofactor; polymer matrix; economical in large scale; biosensor or a chemical membrane bioreactor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-06 US disclosed
EP-1373552-A2 NOVEL AGENTS FOR REPLACEMENT OF NAD+/NADH SYSTEM IN ENZYMATIC RACTIONS The Regents of the University of California (US) 2004-01-02 EP disclosed
US-20030086933-A1 Therapeutic systems ENZACTA R & D LIMITED 2003-05-08 US disclosed
US-20030022266-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions ENERGY, U.S. DEPARTMENT OF 2003-01-30 US disclosed
WO-2002072869-A2 NOVEL AGENTS FOR REPLACEMENT OF NAD+/NADH SYSTEM IN ENZYMATIC RACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-09-19 WO disclosed
EP-0988059-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2000-03-29 EP disclosed
WO-1998057662-A2 THERAPEUTIC SYSTEMS ENZACTA R & D LIMITED (GB) 1998-12-23 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 (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-20230278939-A1 Photochemical Separations and Compositions APEX1, CYBA, MT-CO2 PARP1 188/4885ADRA1D 4869/4885CCNC 501/4885
US-20200172450-A1 Photochemical Separations and Compositions APEX1, CYBA, MT-CO2 PARP1 188/4885ADRA1D 4869/4885CCNC 501/4885
US-12331003-B2 Photochemical separations and compositions APEX1, CYBA, MT-CO2 PARP1 188/4885ADRA1D 4869/4885CCNC 501/4885
US-11591277-B2 Photochemical separations and compositions APEX1, CYBA, MT-CO2 PARP1 188/4885ADRA1D 4869/4885CCNC 501/4885
US-20030022266-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions NQO1, NADK, ME2 PARP1 406/4885ADRA1D 4265/4885CCNC 3525/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT PARP1 281/4885ADRA1D 4544/4885CCNC 3204/4885
US-20040235084-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions NQO1, NADK, ME2 PARP1 406/4885ADRA1D 4265/4885CCNC 3525/4885

“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.