SCHEMBL443612

SCHEMBL443612

COC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
VCAM1 P19320 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 2/20 0.46
ABL1 P00519 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TPMT P51580 1/20 0.43
POLB P06746 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSB P07858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5217104 0.90 VCAM1 (0.55) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL29930566 0.86 VCAM1 (0.51) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL29407123 0.86 VCAM1 (0.51) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL5217118 0.86 VCAM1 (0.51) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL28690833 0.86 VCAM1 (0.51) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL12774975 0.84 VCAM1 (0.50) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL636992 0.84 VCAM1 (0.50) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL20839509 0.84 TPMT (0.54) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL30153000 0.84 MEN1 (0.51) ALDH1A1VCAM1MAPTKDM4EHPGD
SCHEMBL443827 0.84 MEN1 (0.51) ALDH1A1VCAM1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692095-A1 SALT CRYSTAL FORM OF QUATERNARY FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2026-02-11 EP disclosed
US-20250171464-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2025-05-29 US disclosed
US-12275745-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2025-04-15 US disclosed
US-20240400582-A1 FOUR-MEMBERED FUSED RING COMPOUND AND PREPARATION METHOD AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-12-05 US disclosed
WO-2024199447-A1 SALT CRYSTAL FORM OF QUATERNARY FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2024-10-03 WO disclosed
EP-4436969-A2 BICYCLIC THERAPEUTIC COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-10-02 EP disclosed
EP-4410779-A1 FOUR-MEMBERED FUSED RING COMPOUND AND PREPARATION METHOD AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2024-08-07 EP disclosed
CN-118451077-A Bicyclic therapeutic compounds and methods for treatment of cancer 基因泰克公司 2024-08-06 CN disclosed
CN-118139849-A Quaternary condensed ring compound and preparation method and application thereof 江苏豪森药业集团有限公司 2024-06-04 CN disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
CN-1809573-A Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-07-26 CN disclosed
WO-2006040148-A1 TRICYCLIC INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2006-04-20 WO disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 ALDH1A1 3673/4885CYP3A4 1874/4885VCAM1 3456/4885
US-20240400582-A1 FOUR-MEMBERED FUSED RING COMPOUND AND PREPARATION METHOD AND USE THEREOF ABL1, ABL2, BCR ALDH1A1 2519/4885CYP3A4 1162/4885VCAM1 3112/4885
US-20250171464-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 ALDH1A1 829/4885CYP3A4 2755/4885VCAM1 773/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ALDH1A1 164/4885CYP3A4 1017/4885VCAM1 4224/4885
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 ALDH1A1 829/4885CYP3A4 2755/4885VCAM1 773/4885
US-12275745-B2 Therapeutic compounds and methods of use VHL, TP53, MCL1 ALDH1A1 829/4885CYP3A4 2755/4885VCAM1 773/4885

“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.