SCHEMBL952570

SCHEMBL952570

CCOC(=O)C(C(=O)OCC)c1c(Br)cncc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP8 P22894 1/20 0.34
RAB9A P51151 4/20 0.34

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
SCHEMBL20657212 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL2616395 0.94 SMN1; SMN2 (0.37) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL3772527 0.80 CYP1A2 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1GAA
SCHEMBL3470549 0.80 CYP1A2 (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1GAA
SCHEMBL6537676 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL27675643 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL15864377 0.76 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MAPK1GAA
SCHEMBL25343595 0.74 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL5894013 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL25341053 0.73 MAPT (0.34) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092074-A1 Annelated Pyridines as Steroidogenesis Inhibitors, Preparation Method and Use Thereof GUANGZHOU VINNOCENT PHARMACEUTICAL LTD (CN) 2026-04-02 US disclosed
EP-4574830-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Guangzhou Vinnocent Pharmaceutical Limited (CN) 2025-06-25 EP disclosed
WO-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 WO disclosed
US-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 US disclosed
EP-3897843-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 EP disclosed
CN-113474044-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-01 CN disclosed
WO-2020131629-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 WO disclosed
WO-2014106800-A2 SUBSTITUTED 2-AMINO PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-10 WO disclosed
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
CN-1933834-A Use of indazolecarboxamide derivatives for the preparation of a medicament for the treatment and prevention of malaria SANOFI AVENTIS (FR) 2007-03-21 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 (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-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 ALDH1A1 842/4885L3MBTL1 4832/4885MAPT 719/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 ALDH1A1 458/4885L3MBTL1 2673/4885MAPT 1165/4885
US-20260092074-A1 Annelated Pyridines as Steroidogenesis Inhibitors, Preparation Method and Use Thereof STS, NR5A1, CYP21A2 ALDH1A1 610/4885L3MBTL1 2010/4885MAPT 4813/4885
US-20220064160-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS ALDH1A1 589/4885L3MBTL1 1520/4885MAPT 4811/4885

“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.