SCHEMBL1028847

SCHEMBL1028847

Cc1cc([N+](=O)[O-])cnc1Br

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 3/20 0.47
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
GPR35 Q9HC97 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
CYP1A2 P05177 1/20 0.39
KAT2B Q92831 1/20 0.38

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
SCHEMBL2404855 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHTTMEN1
SCHEMBL3942261 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRGAA
SCHEMBL29606539 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRGAA
SCHEMBL30186060 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHTTMEN1
SCHEMBL27609025 0.78 IDO1 (0.47) ALDH1A1TDP1CYP3A4TSHRGAA
SCHEMBL10857430 0.78 ALDH1A1 (0.52) ALDH1A1TDP1HTTGPR35MEN1
SCHEMBL2082959 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL12065144 0.78 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRGAA
Ammonia Solution, Strong SCHEMBL27652614 0.78 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRGAA
SCHEMBL9978505 0.78 HTT (0.50) ALDH1A1GAAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151724-A1 PYRIDINYLOXYPYRIDINES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS AND THEIR USE IN TREATING MEDICAL CONDITIONS RECTIFY PHARMACEUTICALS, INC. (US) 2025-07-17 WO disclosed
US-20250228835-A1 PYRIDINYLOXYPYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS RECTIFY PHARMACEUTICALS, INC. 2025-07-17 US disclosed
US-11771687-B2 Substituted diazaspiroalkanes as androgen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-03 US disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
CN-111072556-A Diamine compound, preparation method and application thereof 阜阳欣奕华材料科技有限公司 2020-04-28 CN disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO disclosed
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO disclosed
EP-2013179-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-01-14 EP disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
WO-2007118859-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO 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 (6 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-11771687-B2 Substituted diazaspiroalkanes as androgen receptor modulators AR, HRAS, NR5A1 ALDH1A1 498/4885TDP1 669/4885CYP3A4 3305/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 ALDH1A1 3393/4885TDP1 3361/4885CYP3A4 2602/4885
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT ALDH1A1 172/4885TDP1 4233/4885CYP3A4 2631/4885
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB ALDH1A1 879/4885TDP1 4039/4885CYP3A4 280/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB ALDH1A1 879/4885TDP1 4039/4885CYP3A4 280/4885
US-20250228835-A1 PYRIDINYLOXYPYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS P2RY6, P2RY4, PNPO ALDH1A1 1092/4885TDP1 2081/4885CYP3A4 87/4885

“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.