SCHEMBL9022

SCHEMBL9022

O=Cc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.59
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
S100A4 P26447 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
VCAM1 P19320 1/20 0.41
CYP2A6 P11509 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
BACE1 P56817 1/20 0.39
TSHR P16473 1/20 0.38
ALDH3A1 P30838 1/20 0.38
EGFR P00533 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
SCHEMBL29709767 1.00 ERN1 (0.59) ERN1ALDH1A1CYP3A4KDM4EMAPT
Bromide SCHEMBL28468459 0.98 ERN1 (0.57) ERN1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL6694236 0.89 ALDH1A1 (0.61) ERN1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL203751 0.85 ERN1 (0.59) ERN1ALDH1A1CYP3A4KDM4EMAPT
Hydrochloric Acid SCHEMBL28075934 0.83 ERN1 (0.57) ERN1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL16951741 0.83 ERN1 (0.49) ERN1ALDH1A1CYP3A4MAPTS100A4
SCHEMBL16951426 0.83 ERN1 (0.45) ERN1ALDH1A1CYP3A4MAPTS100A4
SCHEMBL5460251 0.82 ERN1 (0.45) ERN1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL7287497 0.81 MAPT (0.50) ERN1ALDH1A1KDM4EMAPTVCAM1
SCHEMBL21812372 0.80 ERN1 (0.46) ERN1ALDH1A1CYP3A4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120114456-A Pyruvate-based composition for treating pneumonia and preparation method thereof 江苏长泰药业股份有限公司 2025-06-10 CN claimed
CN-119684127-A Method for preparing aromatic phenylpropionyl ketone by photoinduction and biological application 华南理工大学 2025-03-25 CN claimed
CN-116102561-B Amino coordination-based tricyclic quinazolinyl two-dimensional conductive metal organic framework material 天津大学 2024-12-27 CN claimed
CN-117417867-A Enterobacter cloacae (Enterobacter cloacae) ZJUT16 and application thereof 浙江工业大学 2024-01-19 CN claimed
CN-117343948-A Recombinant expression plasmid of nitroreductase EcNTR and application thereof 浙江工业大学 2024-01-05 CN claimed
CN-116102561-A Amino coordination-based tricyclic quinazolinyl two-dimensional conductive metal organic framework material 天津大学 2023-05-12 CN claimed
CN-115835909-B Cannabinoid receptor type 2 (CB 2) modulators and uses thereof 泰昂治疗公司 2026-05-15 CN disclosed
CN-122010905-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2026-05-12 CN disclosed
EP-3856736-B1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-06 EP disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
US-20250375526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-12-11 US disclosed
EP-4620470-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-24 EP disclosed
US-20040186115-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
WO-2004058749-A1 BENZISOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO disclosed
US-20040072359-A1 Sensor for monitoring an analyte JOHNS HOPKINS UNIVERSITY, THE 2004-04-15 US disclosed
WO-2004027412-A1 SENSOR FOR MONITORING AN ANALYTE THE JOHNS HOPKINS UNIVERSITY (US) 2004-04-01 WO disclosed
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 US disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 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 (3 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-20250375526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ERN1 310/4885ALDH1A1 2776/4885CYP3A4 2542/4885
US-20040186115-A1 Compositions useful as inhibitors of protein kinases PIM3, PIM1, JAK1 ERN1 736/4885ALDH1A1 2778/4885CYP3A4 3152/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 ERN1 1382/4885ALDH1A1 100/4885CYP3A4 706/4885

“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.