SCHEMBL34741

SCHEMBL34741

N#COc1ccc(N=C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.35

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
SCHEMBL15981020 0.94 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10033172 0.94 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL12909396 0.89 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL16383172 0.89 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL14826119 0.89 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL13866485 0.89 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL14039351 0.89 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL34881 0.89 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL20045932 0.89 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL2603375 0.89 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
US-20230231104-A1 PRECURSOR SOLUTION, AND MODIFIED LAYER AND LITHIUM-BASED BATTERY PREPARED BY USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2023-07-20 US disclosed
US-20230167229-A1 BLOCKED ISOCYANATE COMPOSITION, HEAT-CURABLE RESIN COMPOSITION, CURED PRODUCT, PRODUCTION METHOD THEREFOR, AMIDATE COMPOUND, AND CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-06-01 US disclosed
US-20180215876-A1 STRETCHABLE FILM AND METHOD FOR FORMING THE STRETCHABLE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed
US-20180134860-A1 STRETCHABLE FILM, METHOD FOR FORMING THE SAME, STRETCHABLE WIRING FILM, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-17 US disclosed
US-20180118915-A1 STRETCHABLE FILM, METHOD FOR FORMING THE SAME, STRETCHABLE WIRING FILM, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-03 US disclosed
US-20170340623-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. 2017-11-30 US disclosed
US-20170335076-A1 STRETCHABLE FILM AND METHOD FOR FORMING THE SAME, METHOD FOR MANUFACTURING COATED WIRING SUBSTRATE, AND STRETCHABLE WIRING FILM AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-23 US disclosed
US-20120263670-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2012-10-18 US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 US disclosed
US-20120189915-A1 ELECTRODE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2012-07-26 US disclosed
US-20120052445-A1 IMAGE FORMING MATERIAL, PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD FOR MANUFACTURING A PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-03-01 US disclosed
US-20110281200-A1 COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME SNU R&DB FOUNDATION (KR) 2011-11-17 US disclosed
US-20110217656-A1 POSITIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR FOR INFRARED LASER AND PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-09-08 US disclosed
US-20110195338-A1 HYPER-BRANCHED POLYMER, ELECTRODE AND ELECTROLYTE MEMBRANE INCLUDING THE HYPER-BRANCHED POLYMER, AND FUEL CELL INCLUDING AT LEAST ONE OF THE ELECTRODE AND THE ELECTROLYTE MEMBRANE SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-08-11 US disclosed
US-20110151338-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY SANYO ELECTRIC CO., LTD. (JP) 2011-06-23 US disclosed
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2011-02-24 US disclosed
US-20110020591-A1 TREATMENT COMPRISING WATER- AND OIL-REPELLENT AGENT DAIKIN INDUSSRIES, LTD. (JP) 2011-01-27 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 (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-20120263670-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 CYP3A4 4058/4885TSHR 688/4885MAPK1 2602/4885
US-20170340623-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 CYP3A4 3251/4885TSHR 680/4885MAPK1 2648/4885
US-20120195915-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 CYP3A4 4548/4885TSHR 3389/4885MAPK1 890/4885
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION EIF2AK2, NSUN2, NSUN3 CYP3A4 3223/4885TSHR 4866/4885MAPK1 4477/4885

“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.