SCHEMBL1317032

SCHEMBL1317032

COS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
CA2 P00918 2/20 0.62
CA5A P35218 1/20 0.62
F2 P00734 2/20 0.57
PRSS1 P07477 2/20 0.57
PRSS2 P07478 2/20 0.57
PRSS3 P35030 2/20 0.57
PRMT5 O14744 1/20 0.57
WDR77 Q9BQA1 1/20 0.57
CA1 P00915 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
MEN1 O00255 2/20 0.55
LMNA P02545 3/20 0.53
TSHR P16473 2/20 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
SCHEMBL28261651 0.98 KMT2A (0.64) KMT2AGAAHTTCA2CA5A
Dinitrophenylene SCHEMBL28343244 0.90 KMT2A (0.57) KMT2AGAAHTTCA2CA5A
SCHEMBL29429379 0.89 KMT2A (0.60) KMT2AGAAHTTCA2CA5A
SCHEMBL14575229 0.89 KMT2A (0.60) KMT2AGAAHTTCA2CA5A
Phenol SCHEMBL28085209 0.87 KMT2A (0.51) KMT2AGAAHTTCA2CA5A
Dinitrophenylene SCHEMBL27503833 0.85 CYP1A2 (0.57) KMT2AGAAHTTCA2CA5A
Nitrobenzene SCHEMBL28829609 0.84 LMNA (0.57) KMT2AGAAHTTCA2CA5A
SCHEMBL27799459 0.83 KMT2A (0.62) KMT2AGAAHTTCA2CA5A
Dinitrophenylene SCHEMBL28111313 0.83 CYP1A2 (0.54) KMT2AGAAHTTCA2CA5A
SCHEMBL8118078 0.83 KMT2A (0.66) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945272-A Process for the preparation of N-[5-(3-dimethylamino-acryloyl)-2-fluoro-phenyl]-N-methyl-acetamide INTERQUIM SA 2015-09-30 CN claimed
EP-2387557-B1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE INTERQUIM SA (ES) 2013-06-19 EP claimed
US-8163903-B2 Process for the preparation of N-[5-(3-dimethylamino-acryloyl)-2-fluoro-phenyl]-N-methyl-acetamide INTERQUIM, S.A. (ES) 2012-04-24 US claimed
CN-102282123-A Process for the preparation of N- [5- (3-dimethylamino-acryloyl) -2-fluoro-phenyl ] -N-methyl-acetamide 2011-12-14 CN claimed
US-20110275809-A1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE INTERQUIM, S.A. (ES) 2011-11-10 US claimed
EP-4263646-B1 STABILIZED EPOXY-ISOCYANATE MIXTURES AND OXAZOLIDINONE CONTAINING POLYMERS OBTAINED THEREFROM BASF SE (DE) 2025-02-12 EP disclosed
EP-4408533-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES Zevra Denmark A/S (DK) 2024-08-07 EP disclosed
EP-4263646-A1 STABILIZED EPOXY-ISOCYANATE MIXTURES AND OXAZOLIDINONE CONTAINING POLYMERS OBTAINED THEREFROM BASF SE (DE) 2023-10-25 EP disclosed
CN-116601199-A Stable epoxy-isocyanate mixtures and oxazolidinone-containing polymers therefrom 巴斯夫欧洲公司 2023-08-15 CN disclosed
WO-2023053008-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES KEMPHARM DENMARK A/S (DK) 2023-04-06 WO disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-RE49361-E1 Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-01-10 US disclosed
EP-0272563-B1 TWO-STEP PROCESS FOR THE PRODUCTION OF MOULDED ARTICLES BAYER AG (DE) 1991-07-24 EP disclosed
EP-0435060-A2 Process for the preparation de plastic moulded pieces BAYER AG (DE) 1991-07-03 EP disclosed
US-5021536-A Curable mixtures of polyisocyanates, epoxides, alyklating agent to inhibit polymerization BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-4988549-A CURABLE POLYISOCYANATE, POLYEPOXIDE REACTION MIXTURE ON POLYAMIDE BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0357995-A2 Multilayered article based ou polyamides BAYER AG (DE) 1990-03-14 EP disclosed
EP-0331996-A1 Storage-stable reaction resin mixture, preparation and use BAYER AG (DE) 1989-09-13 EP disclosed
US-4788224-A POLYISOCYANURATES, POLYOXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1988-11-29 US disclosed
EP-0272563-A2 Two-step process for the production of moulded articles BAYER AG (DE) 1988-06-29 EP 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-20110275809-A1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE GABRA5, GABRA6, GABRD KMT2A 345/4885GAA 3560/4885HTT 3809/4885

“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.