SCHEMBL347935

SCHEMBL347935

Cc1cc(C(=O)O)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TPMT P51580 2/20 0.46
CASP6 P55212 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
HCAR3 P49019 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL29795771 0.89 TSHR (0.62) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL7824318 0.89 TSHR (0.53) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL3597707 0.89 TSHR (0.62) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL9315175 0.87 TSHR (0.84) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL30218255 0.84 KMT2A (0.60) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL1812368 0.83 MAPK1 (0.48) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL1813258 0.82 ALDH1A1 (0.47) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL6455620 0.82 SMN1; SMN2 (0.57) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL15299306 0.82 TSHR (0.49) TSHRALDH1A1KMT2AKDM4EPOLB
SCHEMBL1811071 0.82 ALDH1A1 (0.47) TSHRALDH1A1KMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10546303-B2 Optically visible carbon nanotube with nanocrystals decoration as unique ID INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-01-28 US claimed
US-20180276682-A1 Optically Visible Carbon Nanotube with Nanocrystals Decoration as Unique ID INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-09-27 US claimed
CN-101861303-A Glycogen phosphorylase inhibitor compound and its pharmaceutical composition SMITHKLINE BEECHAM CORP 2010-10-13 CN claimed
US-20100234433-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF GLAXOSMITHKLINE LLC 2010-09-16 US claimed
EP-2197845-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF GlaxoSmithKline LLC (US) 2010-06-23 EP claimed
WO-2009045831-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO claimed
CN-119100946-A Synthesis method of key intermediate of rilpivirine 石家庄龙泽制药股份有限公司 2024-12-10 CN disclosed
CN-111943153-B Method and system for treating nitric acid containing high boiling point organic matter, and method and apparatus for preparing substituted nitrobenzoic acid 山东友道化学有限公司 2024-09-10 CN disclosed
CN-111620397-B Treatment system and treatment method for nitric acid-containing system 山东友道化学有限公司 2023-08-25 CN disclosed
CN-111792631-B Device and method for treating nitric acid containing high-boiling-point organic matters 山东友道化学有限公司 2023-08-18 CN disclosed
US-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 US disclosed
EP-0211568-A1 Anticonvulsant agents ELI LILLY AND COMPANY (US) 1987-02-25 EP disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
EP-0035393-A1 Poultry feeds containing and methods of using anovulatory compounds, and novel anovulatory imidazolines MERCK & CO. INC. (US) 1981-09-09 EP disclosed
US-4287201-A CONTAINING A 2-(SUBSTITUTED PHENYLIMINO)IMIDAZOLIDINE COMPOUND MERCK & CO., INC. (US) 1981-09-01 US disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 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 (3 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-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 TSHR 845/4885ALDH1A1 1039/4885KMT2A 1818/4885
US-20100234433-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF PYGM, PYGL, G6PC1 TSHR 4714/4885ALDH1A1 3219/4885KMT2A 2279/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 TSHR 829/4885ALDH1A1 825/4885KMT2A 1414/4885

“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.