SCHEMBL2404855

SCHEMBL2404855

O=[N+]([O-])c1cnc(Br)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
GLA P06280 1/20 0.44
NQO2 P16083 1/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 2/20 0.40
KAT2B Q92831 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.38
CYP19A1 P11511 1/20 0.38
ESPL1 Q14674 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL30186060 1.00 ALDH1A1 (0.46) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL914310 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL10857430 0.82 ALDH1A1 (0.52) ALDH1A1IDO1HTTKAT2BMAPK1
SCHEMBL2082959 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4IDO1HTTMAPK1
SCHEMBL27609025 0.82 IDO1 (0.47) ALDH1A1CYP3A4IDO1HTTKAT2B
SCHEMBL116805 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL31073706 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL2405141 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL1028847 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4IDO1HTTKAT2B
SCHEMBL7408717 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4GLANQO2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739307-A2 TARGETED EPIGENETIC THERAPIES FOR DISORDERS OF PROGRANULIN DEFICIENCY The General Hospital Corporation (US) 2026-05-13 EP disclosed
EP-4126879-B1 N-PHENYL SUBSTITUTED INDOLE DERIVATIVES AS MYT1 INHIBITORS FOR THE TREATMENT OF CANCER REPARE THERAPEUTICS INC (CA) 2026-01-21 EP disclosed
US-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use REPARE THERAPEUTICS INC. (CA) 2025-10-07 US disclosed
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2025010291-A2 TARGETED EPIGENETIC THERAPIES FOR DISORDERS OF PROGRANULIN DEFICIENCY THE GENERAL HOSPITAL CORPORATION (US) 2025-01-09 WO disclosed
WO-2024230647-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 苏州信诺维医药科技股份有限公司 2024-11-14 WO disclosed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
CN-117729920-A Carboxamide pyrrolopyrazines and pyridine compounds useful as MYT1 inhibitors and their use in the treatment of cancer 修复治疗公司 2024-03-19 CN disclosed
CN-117586252-A Amide and urea compounds and application thereof 石药集团中奇制药技术(石家庄)有限公司 2024-02-23 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 WO disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
EP-1718645-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO 2,3-D PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2006-11-08 EP disclosed
WO-2005082903-A1 2-(PYRIDIN-3-YLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2005-09-09 WO disclosed
US-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY, LLC 2005-08-18 US disclosed
EP-0013145-A2 Substituted anilinopyridines, processes for their preparation and intermediates for use therein, compositions and herbicidal use thereof ICI AUSTRALIA LIMITED (AU) 1980-07-09 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 (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-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use PLK1, CSNK1A1, CSNK1G1 ALDH1A1 4093/4885CYP3A4 3033/4885GLA 3853/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A ALDH1A1 1899/4885CYP3A4 3438/4885GLA 4131/4885
US-20050182078-A1 2-(Pyridin-3-ylamino)-pyrido[2,3-D]pyrimidin-7-ones CDK2, CDK4, CDK1 ALDH1A1 1787/4885CYP3A4 1629/4885GLA 3586/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD ALDH1A1 82/4885CYP3A4 613/4885GLA 1001/4885

“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.