SCHEMBL192836

SCHEMBL192836

COC(=O)c1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.62
VCAM1 P19320 1/20 0.59
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL537223 0.88 ERN1 (0.62) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL14727969 0.87 VCAM1 (0.58) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL11965649 0.87 VCAM1 (0.58) ERN1VCAM1ALDH1A1HPGDNPSR1
Dimethylamine SCHEMBL9479039 0.84 VCAM1 (0.56) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL14723109 0.84 VCAM1 (0.63) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL14723107 0.84 VCAM1 (0.63) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL7072145 0.84 ERN1 (0.46) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL3598047 0.84 KMT2A (0.61) ERN1ALDH1A1HPGDNPSR1KDM4E
SCHEMBL15894151 0.84 VCAM1 (0.63) ERN1VCAM1ALDH1A1HPGDNPSR1
SCHEMBL19295317 0.84 ALDH1A1 (0.49) ERN1VCAM1ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822065-B1 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-11-21 US claimed
US-20260042749-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2026-02-12 US disclosed
US-12545659-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-02-10 US disclosed
EP-4620470-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-24 EP disclosed
US-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-09-18 US disclosed
EP-4617272-A1 FUSED BICYCLIC COMPOUND Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-09-17 EP disclosed
EP-4615455-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-17 EP disclosed
WO-2025126115-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGANDS AND METHODS OF USE BEIGENE SWITZERLAND GMBH (CH) 2025-06-19 WO disclosed
US-20250195513-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2025-06-19 US disclosed
US-12312363-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-05-27 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN disclosed
EP-0927192-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-07-07 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 WO disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 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 (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-12545659-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK4 ERN1 159/4885VCAM1 3876/4885ALDH1A1 4348/4885
US-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF CDK2, CDK20, CDK1 ERN1 1389/4885VCAM1 2504/4885ALDH1A1 3042/4885
US-20260042749-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK4 ERN1 313/4885VCAM1 4298/4885ALDH1A1 3721/4885
US-20250195513-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE IRAK4, IRAK2, IRAK3 ERN1 349/4885VCAM1 1850/4885ALDH1A1 3564/4885
US-12312363-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 ERN1 3243/4885VCAM1 3227/4885ALDH1A1 1055/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ERN1 2546/4885VCAM1 1951/4885ALDH1A1 2196/4885

“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.