SCHEMBL1576768

SCHEMBL1576768

COC(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 2/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.47
PTGS2 P35354 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL13387757 0.91 MAPT (0.47) ALDH1A1POLBHTTCYP1A2GAA
SCHEMBL6169282 0.89 ALDH1A1 (0.52) ALDH1A1POLBHTTCYP1A2GAA
SCHEMBL6341603 0.84 ALDH1A1 (0.43) ALDH1A1POLBHTTCYP1A2GAA
SCHEMBL13387618 0.82 MAPT (0.47) ALDH1A1POLBHTTCYP1A2GAA
SCHEMBL6166926 0.81 ALDH1A1 (0.52) ALDH1A1POLBHTTCYP1A2GAA
SCHEMBL28702025 0.81 MAPT (0.52) ALDH1A1HTTCYP1A2GAAMAPT
SCHEMBL27974299 0.81 RAB9A (0.60) ALDH1A1HTTCYP1A2GAAMAPT
SCHEMBL1883985 0.81 SMN1; SMN2 (0.55) ALDH1A1HTTCYP1A2GAAMAPT
SCHEMBL21245001 0.81 ALDH1A1 (0.64) ALDH1A1POLBHTTCYP1A2GAA
SCHEMBL2324586 0.81 CYP1A2 (0.41) ALDH1A1POLBHTTCYP1A2GAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 WO disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
EP-2483264-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE Novartis AG (CH) 2012-08-08 EP disclosed
WO-2011039358-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2011-04-07 WO disclosed
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur TRANSMIT GESELLSCHAFT FUR TECHNOLOGIETRANSFER MBH (DE) 2005-10-27 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 (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-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR ALDH1A1 3526/4885POLB 2588/4885HTT 743/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1999/4885POLB 4639/4885HTT 2668/4885
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 601/4885POLB 3535/4885HTT 4462/4885
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur PRNP, APP, MAPT ALDH1A1 1606/4885POLB 3592/4885HTT 26/4885

“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.