SCHEMBL211182

SCHEMBL211182

NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
TSHR P16473 1/20 0.57
HGFAC Q04756 1/20 0.56
ALDH1A1 P00352 2/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CES1 P23141 2/20 0.52
CA9 Q16790 1/20 0.52
CES2 O00748 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.50
MGLL Q99685 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50

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
Formic Acid SCHEMBL27566370 0.93 GAA (0.54) GAAKMT2APKMBCL9CTNNB1
Ethylene Glycol SCHEMBL28213517 0.93 BCL9 (0.55) GAAKMT2APKMBCL9CTNNB1
Butane SCHEMBL19439097 0.91 BCL9 (0.67) GAAKMT2APKMBCL9CTNNB1
Allylamine SCHEMBL1172613 0.87 BCL9 (0.50) GAAKMT2APKMBCL9CTNNB1
SCHEMBL2616823 0.87 GAA (0.56) GAAKMT2APKMBCL9CTNNB1
SCHEMBL2748042 0.86 GAA (0.62) GAAKMT2APKMBCL9CTNNB1
SCHEMBL26374 0.83 GAA (0.65) GAAKMT2APKMBCL9CTNNB1
SCHEMBL7063519 0.83 GAA (0.65) GAAKMT2APKMBCL9CTNNB1
SCHEMBL25187205 0.83 HTR2A (0.70) GAAKMT2APKMBCL9CTNNB1
SCHEMBL1532183 0.82 GAA (0.54) GAAKMT2APKMBCL9CTNNB1

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 1448 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883500-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME LLC (US) 2024-01-30 US claimed
EP-3407916-B1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-12-20 EP claimed
US-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-05-11 US claimed
US-20230099074-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS MERCK SHARP & DOHME LLC (US) 2023-03-30 US claimed
US-11554172-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME LLC (US) 2023-01-17 US claimed
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-01-21 US claimed
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME CORP. (US) 2020-12-22 US claimed
US-20200164085-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS MERCK SHARP & DOHME LLC 2020-05-28 US claimed
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-01-31 US claimed
EP-3407916-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS Merck Sharp & Dohme Corp. (US) 2018-12-05 EP claimed
US-6815562-B2 REACTION OF NITROHALOGENS WITH ANILINES, A BASE AND A CATALYST, HYDROGENATION, BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US claimed
CN-1517332-A Method for prudicing amino-diphenylamine 2004-08-04 CN claimed
CN-1517333-A Method for preparing nitrodiphenylamine 2004-08-04 CN claimed
US-20040143138-A1 Process for the preparation of nitrodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 US claimed
US-20040143139-A1 Process for the production of aminodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 US claimed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP claimed
EP-0687675-A2 Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof LG Chemical Limited (KR) 1995-12-20 EP claimed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO claimed
US-5059002-A N-nitrophenyl carbamyl compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-10-22 US claimed
EP-0434379-A1 Second harmonic generation with archiral, straight-chain carbamic acid derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP 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 (10 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-20200164085-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS CD44, FCGR2A, TNF GAA 211/4885KMT2A 4262/4885PKM 3114/4885
US-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, SLC46A1, SLC19A1 GAA 740/4885KMT2A 3452/4885PKM 427/4885
US-20040143139-A1 Process for the production of aminodiphenylamines NUDT1, ITPA, NAAA GAA 1910/4885KMT2A 286/4885PKM 1263/4885
US-11883500-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN GAA 1061/4885KMT2A 3481/4885PKM 408/4885
US-20040143138-A1 Process for the preparation of nitrodiphenylamines HNMT, PNMT, NNMT GAA 2182/4885KMT2A 514/4885PKM 1018/4885
US-20230099074-A1 ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS CD44, FCGR2A, TNF GAA 211/4885KMT2A 4262/4885PKM 3114/4885
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, PHPT1, PSPH GAA 638/4885KMT2A 4092/4885PKM 466/4885
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, TK1, MSN GAA 1061/4885KMT2A 3481/4885PKM 408/4885
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN GAA 1061/4885KMT2A 3481/4885PKM 408/4885
US-11554172-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN GAA 1061/4885KMT2A 3481/4885PKM 408/4885

“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.