SCHEMBL528859

SCHEMBL528859

CN(C)C(=[O+]n1nnc2ccccc2c1=O)N(C)C.F[B-](F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3127644 0.95 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL5379722 0.91 MAPK1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL5378101 0.88 GAA (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL2824611 0.81 SLC9A1 (0.41) ALDH1A1CYP1A2KMT2ATSHRHSD17B10
SCHEMBL44479 0.81 SLC9A1 (0.41) ALDH1A1CYP1A2KMT2ATSHRHSD17B10
SCHEMBL1941412 0.81 SLC9A1 (0.41) ALDH1A1CYP1A2KMT2ATSHRHSD17B10
SCHEMBL5332213 0.80 SLC9A1 (0.40) ALDH1A1CYP1A2KMT2ATSHRHSD17B10
SCHEMBL1187391 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL1395480 0.75 POLB (0.54) ALDH1A1CYP1A2KMT2ATSHRHSD17B10
SCHEMBL153586 0.75 TUBB4A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119223-A1 METHOD FOR SYNTHESIZING AMANITIN AND DERIVATIVE THEREOF 上海皓元生物医药科技有限公司 2025-06-12 WO claimed
US-20240351989-A1 PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF ALIVUS LIFE SCIENCES LIMITED (IN) 2024-10-24 US claimed
EP-4384501-A1 PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF Glenmark Life Sciences Limited (IN) 2024-06-19 EP claimed
WO-2023017393-A1 PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF GLENMARK LIFE SCIENCES LIMITED (IN) 2023-02-16 WO claimed
US-10322104-B2 Disulfur bridge linkers for conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-06-18 US claimed
US-10232051-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-03-19 US claimed
US-9839687-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-12-12 US claimed
EP-2069323-B1 PROCESSES FOR THE PREPARATION OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3-{[(3,4 DIMETHYL-5-ISOXAZOLYL)AMINO]SULFONYL}-2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS INC (US) 2010-05-05 EP claimed
US-20090318704-A1 Processes for the Preparation of N-(2-Acetyl-4,6-Dimethylphenyl)-3--2-Thiophenecarboxamide REICHWEIN JOHN F 2009-12-24 US claimed
EP-2069323-A1 PROCESSES FOR THE PREPARATION OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3-{[(3,4 DIMETHYL-5-ISOXAZOLYL)AMINO]SULFONYL}-2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-06-17 EP claimed
US-20060135759-A1 Reusable universal polymer support for repetitive oligonucleotide synthesis COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2006-06-22 US claimed
EP-1436284-B1 SYNTHESIS OF 4- (Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'- 2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE SCHERING CORP (US) 2005-08-03 EP claimed
WO-2005007634-A1 3-HYDROXY-4-OXO-1,2,3-TRIAZINES AND DERIVATIVES THEREOF FOR AMIDE AND ESTER BOND FORMATION FRUTAROM LTD. (IL) 2005-01-27 WO claimed
US-6818773-B2 AIDS THERAPY; ANTIINFLAMAMTORY AGENTS; ANTIALLERGENS; RHEUMATIC DISEASES SCHERING CORPORATION 2004-11-16 US claimed
WO-2003033490-A9 SYNTHESIS OF 4-[(Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'-[2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE SCHERING CORP (US) 2004-06-10 WO claimed
US-20040077878-A1 Process for the preparation of tri-nitrogen containing heteroaryl-diamine derivatives useful as pharmaceutical agents and methods of producing pharmaceutical agents LIU CHUNJIAN (US) 2004-04-22 US claimed
US-20030105131-A1 Synthesis of 4-[(Z)-4-bromophenyl)(ethoxyimino) methyl]-1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-1,4-'bipiperidine SCHERING CORPORATION 2003-06-05 US claimed
EP-1091972-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2001-04-18 EP claimed
US-6015895-A REACTING A LINKER COMPOUND WITH A HYDROXY GROUP OF A NUCLEOSIDE AND A SOLID SUPPORT CAPABLE OF ESTERIFICATION; LINKER IS STABILE AGAINST SPONTANEOUS HYDROLYSIS AND EASILY CLEAVED WHEN NECESSARY UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2000-01-18 US claimed
WO-2000001711-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2000-01-13 WO claimed

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-10322104-B2 Disulfur bridge linkers for conjugation of a cell-binding molecule CD74, CD2, EPCAM ALDH1A1 900/4885SMN1; SMN2 3882/4885CYP1A2 4710/4885
US-20240351989-A1 PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF PARP1, PARP2, PARP4 ALDH1A1 1541/4885SMN1; SMN2 3917/4885CYP1A2 590/4885
US-20030105131-A1 Synthesis of 4-[(Z)-4-bromophenyl)(ethoxyimino) methyl]-1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-1,4-'bipiperidine DNMT1, BCDIN3D, TET1 ALDH1A1 140/4885SMN1; SMN2 2257/4885CYP1A2 216/4885
US-20040077878-A1 Process for the preparation of tri-nitrogen containing heteroaryl-diamine derivatives useful as pharmaceutical agents and methods of producing pharmaceutical agents IMPDH1, IMPDH2, HNMT ALDH1A1 1115/4885SMN1; SMN2 4681/4885CYP1A2 2020/4885
US-20090318704-A1 Processes for the Preparation of N-(2-Acetyl-4,6-Dimethylphenyl)-3--2-Thiophenecarboxamide EDNRB, EDNRA, ECE2 ALDH1A1 3785/4885SMN1; SMN2 3698/4885CYP1A2 436/4885
US-20060135759-A1 Reusable universal polymer support for repetitive oligonucleotide synthesis POLI, PCNA, POLN ALDH1A1 4169/4885SMN1; SMN2 2305/4885CYP1A2 4762/4885
US-10232051-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule AADAC, EPCAM, DCLRE1A ALDH1A1 429/4885SMN1; SMN2 4722/4885CYP1A2 3037/4885

“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.