SCHEMBL468315

SCHEMBL468315

COS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA9 Q16790 5/20 0.55
CA12 O43570 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA6 P23280 3/20 0.55
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
POLB P06746 1/20 0.53
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
HSD17B10 Q99714 2/20 0.50
ACHE P22303 1/20 0.50
MMP1 P03956 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
SCHEMBL28313032 0.93 ALDH1A1 (0.52) CA1CA2CA9CA12CA14
Nitrobenzene SCHEMBL28829609 0.89 LMNA (0.57) CA1CA2CA9CA12CA14
SCHEMBL14574853 0.86 CA2 (0.50) CA1CA2CA9CA12CA14
SCHEMBL821155 0.86 CA1 (0.50) CA1CA2CA9CA12CA14
Nitrobenzene SCHEMBL27503832 0.84 ACHE (0.53) CA2CA9CA12HSD17B10ACHE
SCHEMBL29488753 0.83 CA2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL997443 0.83 CA2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL777482 0.82 PKM (0.46) CA1CA2CA9CA12POLB
SCHEMBL14391651 0.82 POLB (0.40) CA1CA2CA9CA12CA14
SCHEMBL15003888 0.82 POLB (0.37) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228655-B1 TETRACYCLINE DERIVATIVES FOR TREATING NEURODEGENERATIVE OR NEUROINFLAMMATORY DISEASES INST DU CERVEAU ET DE LA MOELLE EPINIERE (FR) 2025-08-27 EP claimed
CN-118184531-A 1-Carboxyl-N, N, N-trimethylhexane-3-ammonium salt and preparation method thereof 合肥瀚微生物科技有限公司 2024-06-14 CN claimed
CN-117820150-A 2-carboxyl-N, N, N-trimethylbutane-1-amine and preparation method thereof 合肥瀚微生物科技有限公司 2024-04-05 CN claimed
CN-117820152-A 1-carboxyl-N, N, N-trimethylbutane-1-amine and preparation method thereof 合肥瀚微生物科技有限公司 2024-04-05 CN claimed
CN-117820151-A 1-carboxyl-N, N, N,2-tetramethyl propane-1-amine and preparation method thereof 合肥瀚微生物科技有限公司 2024-04-05 CN claimed
US-20240059678-A1 Synthesis Method for Aminopyrimidine FAK Inhibitor Compound HINOVA PHARMACEUTICALS INC. (CN) 2024-02-22 US claimed
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP claimed
CN-117510353-A Preparation method of 4- (trimethylammonium) valeric acid 合肥瀚微生物科技有限公司 2024-02-06 CN claimed
WO-2024022426-A1 METHOD FOR PREPARING 4-(TRIMETHYLAMMONIO)PENTANOATE 合肥瀚微生物科技有限公司 2024-02-01 WO claimed
US-20230390309-A1 TETRACYCLINE DERIVATIVES FOR TREATING NEURODEGENERATIVE OR NEUROINFLAMMATORY DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-12-07 US 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
EP-2387557-A1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE Interquim, S.A. (ES) 2011-11-23 EP 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
US-20110254078-A1 METHOD FOR DEPOSITING SILICON NITRIDE FILM, COMPUTER-READABLE STORAGE MEDIUM, AND PLASMA CVD DEVICE TOKYO ELECTRON LIMITED (JP) 2011-10-20 US claimed
CN-101035801-B Process for the synthesis of quaternary ammonium steroids RICHTER GEDEON VEGYESZET 2010-07-28 CN claimed
WO-2010081788-A1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE INTERQUIM, S.A. (ES) 2010-07-22 WO claimed
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
EP-1824827-B1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2008-09-17 EP claimed
US-20080171853-A1 Somatostatin antagonists ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE 2008-07-17 US claimed
CN-101035801-A Environmentally friendly process for the synthesis of quaternary ammonium steroids RICHTER GEDEON VEGYESZET (HU) 2007-09-12 CN 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 (4 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-20240059678-A1 Synthesis Method for Aminopyrimidine FAK Inhibitor Compound PTK2, PARP16, CDK6 CA1 3441/4885CA2 2281/4885CA9 3182/4885
US-20230390309-A1 TETRACYCLINE DERIVATIVES FOR TREATING NEURODEGENERATIVE OR NEUROINFLAMMATORY DISEASES SNCA, HTT, PARK7 CA1 3594/4885CA2 3879/4885CA9 4220/4885
US-20110275809-A1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE GABRA5, GABRA6, GABRD CA1 1965/4885CA2 2407/4885CA9 3175/4885
US-20080171853-A1 Somatostatin antagonists SSTR4, SSTR5, SSTR3 CA1 1226/4885CA2 2703/4885CA9 1305/4885

“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.