SCHEMBL4603476

SCHEMBL4603476

CCCCCCNC(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 1.00
ALDH1A1 P00352 2/20 1.00
HTT P42858 1/20 1.00
GHSR Q92847 1/20 0.73
HDAC1 Q13547 2/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
LMNA P02545 1/20 0.66
KDM4E B2RXH2 1/20 0.64
HDAC2 Q92769 1/20 0.62
EPHX2 P34913 3/20 0.61
NAAA Q02083 1/20 0.61
S1PR1 P21453 1/20 0.59

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
SCHEMBL10599308 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL422504 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL5020899 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4138192 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL813735 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL11671083 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL17119069 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL7722626 0.98 EPHX1 (0.97) EPHX1ALDH1A1HTTGHSRHDAC1
Dimethylamine SCHEMBL9100861 0.97 EPHX1 (0.94) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4604785 0.93 EPHX1 (0.87) EPHX1ALDH1A1HTTGHSRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3392240-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2020-06-03 EP claimed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US claimed
EP-3392240-A1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS Council Of Scientific & Industrial Research (IN) 2018-10-24 EP claimed
EP-3094621-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS Council of Scientific & Industrial Research (IN) 2016-11-23 EP claimed
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 US claimed
WO-2015104722-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-16 WO claimed
US-20080227999-A1 Heterogeneous Supported Catalytic Carbamate Process MOLZAHN DAVID C 2008-09-18 US claimed
EP-1943214-A2 HETEROGENEOUS SUPPORTED CATALYTIC CARBAMATE PROCESS Dow Gloval Technologies Inc. (US) 2008-07-16 EP claimed
WO-2007015852-A2 HETEROGENEOUS SUPPORTED CATALYTIC CARBAMATE PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2007-02-08 WO claimed
US-4102673-A 1-Phenyl-hexyl ureas as herbicides HERCULES INCORPORATED (US) 1978-07-25 US claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2022187490-A9 INCORPORATION OF CARBON DIOXIDE INTO BIODERIVED POLYMER SCAFFOLDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-08-03 WO disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2020196553-A1 METHOD FOR PRODUCING N-SUBSTITUTED TRIHALOACETAMIDE 国立大学法人神戸大学 2020-10-01 WO disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
US-4567287-A Preparation of carbamates from organic carbonates and aromatic ureas THE UPJOHN CO. (US) 1986-01-28 US disclosed
US-4102673-A 1-Phenyl-hexyl ureas as herbicides HERCULES INCORPORATED (US) 1978-07-25 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 (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-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS WIZ, CRYZ, NAA15 EPHX1 2254/4885ALDH1A1 978/4885HTT 405/4885
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 EPHX1 1421/4885ALDH1A1 725/4885HTT 1613/4885
US-20080227999-A1 Heterogeneous Supported Catalytic Carbamate Process CPS1, CAT, CA7 EPHX1 4546/4885ALDH1A1 4027/4885HTT 925/4885
US-10464929-B2 Organic molecules for terahertz tagging applications WIZ, CRYZ, NAA15 EPHX1 2254/4885ALDH1A1 978/4885HTT 405/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 EPHX1 1600/4885ALDH1A1 524/4885HTT 1194/4885

“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.