SCHEMBL230798

SCHEMBL230798

CCOc1ccc(N=C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
ADRA2A P08913 2/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
PARP10 Q53GL7 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL10299637 0.94 LTA4H (0.53) NQO1ADRA2AALDH1A1TSHRCYP3A4
SCHEMBL7526584 0.88 ALDH1A1 (0.49) NQO1ADRA2AALDH1A1TSHRCYP3A4
SCHEMBL414168 0.85 CYP1A2 (0.50) TSHRCYP3A4CYP1A2GAARAB9A
SCHEMBL991987 0.85 CYP2C9 (0.50) ALDH1A1TSHRCYP3A4CYP1A2KMT2A
SCHEMBL8568163 0.83 CYP3A4 (0.54) NQO1ADRA2AALDH1A1TSHRCYP3A4
SCHEMBL10341829 0.83 CYP3A4 (0.54) ALDH1A1TSHRCYP3A4CYP1A2TDP1
SCHEMBL631317 0.82 NQO1 (0.58) NQO1ADRA2AALDH1A1TSHRCYP3A4
SCHEMBL1493053 0.82 CYP3A4 (0.52) ALDH1A1TSHRCYP3A4CYP1A2TDP1
SCHEMBL10341873 0.82 CYP3A4 (0.52) TSHRCYP3A4CYP1A2TDP1GAA
Ether SCHEMBL2581487 0.81 CYP3A4 (0.47) NQO1ADRA2AALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724293-B A kind of preparation method of the urea derivative containing 1,2,3-thiadiazoles 浙江工业大学 2016-08-17 CN claimed
CN-103613564-B Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN claimed
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 US claimed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 US claimed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 US claimed
US-20070123642-A1 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION 2007-05-31 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-0034711-A2 Process for preparing aromatic isocyanates with aromatically bound sulfochloride groups BAYER AG (DE) 1981-09-02 EP claimed
WO-2026104221-A1 PROCESS FOR PREPARING OF ORGANIC CARBAMOYL AZIDES All4Labels Group GmbH (DE) 2026-05-21 WO disclosed
EP-4190869-B1 A PRINTING METHOD FOR TIME TEMPERATURE INDICATORS AGFA GEVAERT NV (BE) 2026-02-25 EP disclosed
US-20250035600-A1 A Printing Method for Time Temperature Indicators AGFA-GEVAERT NV (BE) 2025-01-30 US disclosed
US-20240417377-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING ß-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX, INC. 2024-12-19 US disclosed
WO-2024242056-A1 CYCLIC PEPTIDE COMPOUND AND ANTIBACTERIAL AGENT COMPRISING SAME 学校法人近畿大学 2024-11-28 WO disclosed
CN-118414391-A Printing method of time temperature indicator 爱克发-格法特公司 2024-07-30 CN disclosed
US-3972894-A Synthesis of oxindoles from anilines and β-thio carboxylic esters or amides THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-08-03 US disclosed
US-3963763-A Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-06-15 US disclosed
US-3961061-A INSECTICIDES, FUNGICIDES, BACTERICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed
US-3936484-A Production of isocyanates from substituted ureas ATLANTIC RICHFIELD COMPANY (US) 1976-02-03 US disclosed
US-3935277-A OIL AND WATER REPELLENT INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1976-01-27 US disclosed
US-3931171-A FROM A 1,3-DIOXINONE-(4) AND AN ISOCYANATE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (1 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-20240417377-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING ß-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA GUSB, SI, ENGASE NQO1 824/4885ADRA2A 894/4885ALDH1A1 369/4885

“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.