SCHEMBL753657

SCHEMBL753657

Cc1cc(C)n(C(N)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ENPP3 O14638 6/20 0.56
ALPL P05186 6/20 0.56
XIAP P98170 6/20 0.56
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.50
F12 P00748 1/20 0.49
GAA P10253 1/20 0.47

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
Cyclohexane SCHEMBL8747257 0.94 TSHR (0.53) TSHRALDH1A1MEN1CYP1A2CYP3A4
Nitrous Acid SCHEMBL14661057 0.92 TSHR (0.51) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL18601423 0.83 ENPP3 (0.47) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1862337 0.82 TSHR (0.62) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6049124 0.81 TSHR (0.39) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL4457538 0.80 TSHR (0.60) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3739579 0.80 TSHR (0.60) TSHRALDH1A1MEN1CYP1A2CYP3A4
Acetic Acid SCHEMBL10353741 0.79 TSHR (0.50) TSHRALDH1A1MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11561048 0.78 TSHR (0.58) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28981274 0.78 TSHR (0.48) TSHRALDH1A1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846525-B2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 2005-01-25 US claimed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN claimed
US-20040202825-A1 RECORDING SHEETS CONTAINING PURINE, PYRIMIDINE, BENZIMIDAZOLE, IMIDAZOLIDINE, URAZOLE, PYRAZOLE, TRIAZOLE, BENZOTRIAZOLE, TETRAZOLE, AND PYRAZINE COMPOUNDS XEROX CORPORATION 2004-10-14 US claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673783-B1 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORP (US) 2000-07-05 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
US-5659348-A APPLYING TO A SUBSTRATE XEROX CORPORATION (US) 1997-08-19 US claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
US-12319758-B2 Sterically hindered phosphino-urea supported nickel (II) or palladium (II) catalysts for the copolymerization of ethylene and polar comonomers DOW GLOBAL TECHNOLOGIES LLC (US) 2025-06-03 US disclosed
EP-4126991-B9 STERICALLY HINDERED PHOSPHINO-UREA SUPPORTED NICKEL(II) OR PALLADIUM(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2025-02-19 EP disclosed
EP-4126991-B1 STERICALLY HINDERED PHOSPHINO-UREA SUPPORTED NICKEL(II) OR PALLADIUM(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-11-27 EP disclosed
CN-1111365-A Photothermographic elements incorporating antihalation dyes MINNESOTA MINING & MFG (US) 1995-11-08 CN disclosed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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 (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-12319758-B2 Sterically hindered phosphino-urea supported nickel (II) or palladium (II) catalysts for the copolymerization of ethylene and polar comonomers PCNA, NIT2, MCM7 TSHR 3696/4885ALDH1A1 2942/4885MEN1 101/4885

“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.