SCHEMBL3018141

SCHEMBL3018141

CC(C)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HPGD P15428 1/20 0.60
CYP1A2 P05177 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
RAB9A P51151 6/20 0.56
MAPT P10636 5/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.53
POLB P06746 1/20 0.51
PABPC1 P11940 1/20 0.50
HCAR3 P49019 1/20 0.50
PKM P14618 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
SCHEMBL30716729 1.00 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2791677 0.84 HCAR3 (0.56) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL13229215 0.84 HCAR3 (0.56) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL10707768 0.84 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2792543 0.83 GAA (0.56) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2792546 0.83 GAA (0.56) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL17198268 0.83 MEN1 (0.55) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2792928 0.82 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2733724 0.82 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL15022761 0.82 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511375-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-02-26 EP disclosed
CN-119053599-A Bicyclic compounds 安力高医药股份有限公司 2024-11-29 CN disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
WO-2023205653-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
CN-101808994-B Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2013-05-15 CN disclosed
CN-101808994-A Be used for Compounds and methods for that kinases regulates with and indication PLEXXIKON INC 2010-08-18 CN disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
EP-2170830-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-04-07 EP disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN 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 (8 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-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885HPGD 2589/4885CYP1A2 4730/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 ALDH1A1 543/4885HPGD 1760/4885CYP1A2 107/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885HPGD 2589/4885CYP1A2 4730/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 ALDH1A1 3137/4885HPGD 3172/4885CYP1A2 3338/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885HPGD 2589/4885CYP1A2 4730/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885HPGD 2589/4885CYP1A2 4730/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885HPGD 2589/4885CYP1A2 4730/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ALDH1A1 2185/4885HPGD 433/4885CYP1A2 4558/4885

“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.