SCHEMBL228082

SCHEMBL228082

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 4/20 0.53
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
PKM P14618 2/20 0.48
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
KDM4E B2RXH2 1/20 0.47
G6PD P11413 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
AKR1B10 O60218 1/20 0.47

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
SCHEMBL30199709 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL15541404 0.89 PIN1 (0.52) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL6320 0.87 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL30585356 0.87 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL9200645 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL1662886 0.84 ALDH1A1 (0.65) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL2986961 0.83 MAPT (0.48) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL1981547 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL2987569 0.83 TLR4 (0.53) MAPK1MAPTMEN1KMT2ARAB9A
SCHEMBL30639026 0.83 MAPT (0.67) ALDH1A1MAPK1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102199099-B Method for preparing 3-bromo-4-methoxyaniline UNIV CHANGZHOU 2013-12-18 CN claimed
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
US-12473264-B2 Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof PURDUE RESEARCH FOUNDATION (US) 2025-11-18 US disclosed
EP-4573088-A1 HETEROCYCLE RBM39 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-06-25 EP disclosed
CN-119630658-A Heterocyclic RBM39 modulators 递归医药公司 2025-03-14 CN disclosed
CN-117945822-B Reductive amidation method of triazine ester and nitroaromatic hydrocarbon 南京工业大学 2025-01-10 CN disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
US-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-07-11 US disclosed
CN-118221698-A KRAS G12D inhibitors 艾立康药业股份有限公司 2024-06-21 CN disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050009830-A1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY. 2005-01-13 US disclosed
US-6740650-B2 SUCH AS 2,3-DIMETHOXY-DIBENZO(C,H)CINNOLINE FOR TREATMENT OF CANCER; FUNGICIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-25 US disclosed
US-20030100560-A1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2003-05-29 US disclosed
EP-1228045-A2 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2002-08-07 EP disclosed
WO-2001032631-A2 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JEREY (US) 2001-05-10 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 (8 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR ALDH1A1 191/4885MAPK1 3379/4885MAPT 3825/4885
US-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF BCL6, SLCO4C1, SLCO2B1 ALDH1A1 1928/4885MAPK1 1494/4885MAPT 1426/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ALDH1A1 1598/4885MAPK1 2622/4885MAPT 1155/4885
US-20050009830-A1 Heterocyclic cytotoxic agents CCNE1, RB1, CCNA1 ALDH1A1 345/4885MAPK1 1784/4885MAPT 4872/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ALDH1A1 2275/4885MAPK1 1633/4885MAPT 2593/4885
US-20030100560-A1 Heterocyclic cytotoxic agents CCNA1, CCNE1, MCL1 ALDH1A1 114/4885MAPK1 570/4885MAPT 4835/4885
US-12473264-B2 Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof HBG1, SPTBN1, CTTN ALDH1A1 2772/4885MAPK1 224/4885MAPT 2097/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885MAPK1 221/4885MAPT 3753/4885

“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.