SCHEMBL1629413

SCHEMBL1629413

COc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
RAF1 P04049 1/20 0.55
HPGD P15428 1/20 0.55
GFER P55789 1/20 0.55
PAX8 Q06710 1/20 0.55
MERTK Q12866 1/20 0.53
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48

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
SCHEMBL30310607 1.00 MAPK1 (0.58) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL541479 0.85 ALDH1A1 (0.68) MAPK1ALDH1A1MAPTLMNARAF1
SCHEMBL9192519 0.85 MAPK1 (0.62) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL1662886 0.82 ALDH1A1 (0.65) MAPK1TSHRALDH1A1MAPTMERTK
SCHEMBL30922851 0.82 MAPK1 (0.50) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL11199415 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTLMNARAF1
SCHEMBL10628038 0.81 MAPT (0.67) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL28120167 0.81 MAPK1 (0.53) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL14920998 0.80 MAPK1 (0.56) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL1857266 0.80 MAPK1 (0.51) MAPK1TSHRALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859559-A Production method of 3-ethoxy-4-nitrophenol 盐城工学院 2016-08-17 CN claimed
JP-8019095-B2 1996-02-28 JP claimed
EP-0302874-B1 INDOLOQUINONE COMPOUNDS SPECKAMP, Willem Nico (NL) 1992-12-02 EP claimed
EP-0302874-A1 INDOLOQUINONE COMPOUNDS. SPECKAMP WILLEM NICO (NL) 1989-02-15 EP claimed
WO-1987006227-A2 INDOLOQUINONE COMPOUNDS JOUHAR AKBAR JAN (GB) 1987-10-22 WO claimed
EP-3741760-B1 COMPOUNDS, PROCESS FOR OBTAINING THE COMPOUNDS, PHARMACEUTICAL COMPOSITION, USE OF THE COMPOUNDS AND METHOD FOR TREATING PSYCHIATRIC DISORDERS AND/OR SLEEP DISORDERS ACHE LABORATORIOS FARMACEUTICOS SA (BR) 2024-12-04 EP disclosed
CN-118878470-A Novel quetiapine analogue, and preparation method and application thereof 北京安博睿达医药科技有限公司 2024-11-01 CN disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
EP-3529234-B1 COMPOUNDS, PROCESS FOR OBTAINING THE COMPOUNDS, PHARMACEUTICAL COMPOSITION, USE OF THE COMPOUNDS AND METHOD FOR TREATING PSYCHIATRIC DISORDERS AND/OR SLEEP DISORDERS ACHE LABORATORIOS FARMACEUTICOS SA (BR) 2023-11-29 EP disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-11091445-B2 Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. (BR) 2021-08-17 US disclosed
EP-0039880-B2 AGENTS FOR THE DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES; AND PHENOXY-AMINO ACIDS AND PHENOXY-PEPTIDE ESTERS SUITABLE AS SUBSTRATES THEREFOR, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN PRODUCING THE AGENTS Roche Diagnostics GmbH (DE) 1987-06-03 EP disclosed
US-4551428-A COLORIMETRIC ANALYSIS USING DIAZONIUM COUPLERS BOEHRINGER MANNHEIM GMBH (DE) 1985-11-05 US disclosed
EP-0039880-B1 AGENTS FOR THE DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES; AND PHENOXY-AMINO ACIDS AND PHENOXY-PEPTIDE ESTERS SUITABLE AS SUBSTRATES THEREFOR, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN PRODUCING THE AGENTS Roche Diagnostics GmbH (DE) 1983-06-29 EP disclosed
US-4369318-A USING A BENZO-OR PYRIDO-CINNOLINES AS BLEACH CATALYST CIBA-GEIGY LTD. (CH) 1983-01-18 US disclosed
EP-0017883-B1 SULPHUR-CONTAINING DIISOCYANATES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNTHESIS COMPONENTS TO PREPARE POLYURETHANES BAYER AG (DE) 1981-10-21 EP disclosed
US-4266011-A FUSED PYRIDAZINE CATALYST CIBA-GEIGY AG (CH) 1981-05-05 US disclosed
EP-0017883-A1 Sulphur-containing diisocyanates, a process for their preparation and their use as synthesis components to prepare polyurethanes BAYER AG (DE) 1980-10-29 EP disclosed
US-4020063-A Oxadiazepine cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 MAPK1 2622/4885TSHR 1191/4885ALDH1A1 1598/4885
US-11091445-B2 Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders MTNR1A, MTNR1B, PER2 MAPK1 2552/4885TSHR 1001/4885ALDH1A1 293/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MAPK1 4249/4885TSHR 4669/4885ALDH1A1 1863/4885

“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.