SCHEMBL561284

SCHEMBL561284

COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GAA P10253 1/20 0.64
POLB P06746 2/20 0.59
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 1/20 0.57
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.53
AHR P35869 1/20 0.53
ALOX5 P09917 1/20 0.53
NPC1 O15118 1/20 0.53

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
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.96 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8762477 0.94 HTT (0.59) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL16960801 0.93 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL583563 0.93 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL38446 0.93 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL4731202 0.93 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
Hydrochloric Acid SCHEMBL11278994 0.91 HTT (0.57) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL231014 0.91 SMN1; SMN2 (0.57) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL30917332 0.91 SMN1; SMN2 (0.57) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL39366 0.91 SMN1; SMN2 (0.68) HTTSMN1; SMN2GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120042336-A Wear-resistant SPC composite wallboard and preparation method thereof 江苏中鑫家居新材料股份有限公司 2025-05-27 CN claimed
CN-221965301-U Device and system for continuously producing 5-nitro dimethyl isophthalic acid by micro-channel 成都艾必克医药科技有限公司 2024-11-08 CN claimed
CN-113831256-B Intermediate of iodixanol and method for preparing iodixanol 江苏宇田医药有限公司 2024-06-11 CN claimed
CN-113968826-B Preparation method of impurity F and impurity G of iodixanol 黑龙江迪诺医药有限公司 2024-05-31 CN claimed
CN-118002050-A Method, device and system for continuously producing 5-nitro dimethyl isophthalic acid by micro-channel 成都艾必克医药科技有限公司 2024-05-10 CN claimed
CN-115611761-B Preparation method of iohexol or iodixanol and intermediate thereof 杭州新曦科技有限公司 2023-11-24 CN claimed
CN-116768747-A Intermediate of ioversol and method for preparing ioversol 江苏宇田医药有限公司 2023-09-19 CN claimed
CN-115611761-A Preparation method of iohexol or iodixanol and intermediate thereof 杭州新曦科技有限公司 2023-01-17 CN claimed
CN-217409785-U Filtering and distilling equipment for synthesizing 5-nitroisophthalic acid dimethyl ester 江西大宇医药原料有限公司 2022-09-13 CN claimed
CN-217288335-U 5-nitroisophthalic acid dimethyl ester catalyst feeding system 江西大宇医药原料有限公司 2022-08-26 CN claimed
CN-1878821-A Method for enhanced solid state polymerization of polyethylene terephthalate INVISTA TECH SARL (CH) 2006-12-13 CN claimed
EP-1699846-A1 METHOD FOR ENHANCED SOLID STATE POLYMERIZATION OF POLYETHYLENE TEREPHTHALATE INVISTA Technologies S.à.r.l. (US) 2006-09-13 EP claimed
CN-1803765-A Method for preparing ioxitalamic acid JIANGSU INST OF NUCLEAR MED (CN) 2006-07-19 CN claimed
WO-2005044895-A1 METHOD FOR ENHANCED SOLID STATE POLYMERIZATION OF POLYETHYLENE TEREPHTHALATE INVISTA TECHNOLOGIES S.A.R.L. (CH) 2005-05-19 WO claimed
US-20050101758-A1 Method for producing enhanced solid state INVISTA NORTH AMERICA S.A.R.L. 2005-05-12 US claimed
EP-1131280-B1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES AMERSHAM HEALTH AS (NO) 2004-08-11 EP claimed
US-6441235-B1 DI-LOWER-ALKYL-5-NITROISOPHTHALATE REACTS WITH A DIHYDROXY-MONOALKYLAMINE IN THE PRESENCE OF A BASIC CATALYST AND THEN CATALYLYTICALLY HYDROGENATED, WITHOUT ISOLATING THE 5-NITRO-N,N'-BIS(R)ISOPHTHALAMIDE INTERMEDIATE AMERSHA, HEALTH AS (NO) 2002-08-27 US claimed
US-20020095053-A1 Preparation of 5-amino-isophthalamides GE HEALTHCARE AS (NO) 2002-07-18 US claimed
EP-1131280-A1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES Amersham Health AS (NO) 2001-09-12 EP claimed
WO-2000029372-A1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES NYCOMED IMAGING AS (NO) 2000-05-25 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 (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-20020095053-A1 Preparation of 5-amino-isophthalamides DNPH1, DDAH1, DOHH HTT 1201/4885SMN1; SMN2 3655/4885GAA 4260/4885

“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.