SCHEMBL516986

SCHEMBL516986

O=C1CCc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.67
SIRT2 Q8IXJ6 1/20 0.61
PGR P06401 1/20 0.54
TDP2 O95551 1/20 0.53
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
ADRA2A P08913 1/20 0.47
PNMT P11086 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2061739 0.90 KIF11 (0.56) KIF11SIRT2PGRTDP2CAPN9
SCHEMBL4897946 0.88 PGR (0.63) KIF11SIRT2PGRTDP2NPC1
SCHEMBL30270534 0.87 CA9 (0.56) KIF11SIRT2PGRTDP2CAPN9
SCHEMBL495833 0.87 CA9 (0.56) KIF11SIRT2PGRTDP2CAPN9
SCHEMBL19954 0.85 PGR (0.71) KIF11SIRT2PGRTDP2CAPN9
SCHEMBL28956487 0.84 KIF11 (0.55) KIF11SIRT2PGRKMT2ACYP3A4
SCHEMBL16208459 0.81 KIF11 (1.00) KIF11PGRNPC1LMNAMEN1
SCHEMBL2616922 0.81 CAPN9 (0.58) KIF11PGRTDP2CAPN9CASP3
SCHEMBL31718435 0.80 KIF11 (0.50) KIF11SIRT2CYP3A4CYP1A2PKM
SCHEMBL6234559 0.80 SIRT2 (0.53) KIF11SIRT2PGRTDP2CAPN9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245484-A1 FOXN1 ACTIVATORS THYMOFOX INC. (US) 2025-11-27 WO disclosed
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
US-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2025-05-27 US disclosed
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-04-24 US disclosed
CN-112638881-B Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers 普林斯顿大学托管委员会 2025-01-07 CN disclosed
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 US disclosed
CN-119019369-A Bifunctional molecules comprising an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2024-11-26 CN disclosed
CN-115397821-B Bifunctional molecules comprising an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2024-09-03 CN disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed
EP-0885205-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1049692-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
WO-1999037641-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
EP-0885205-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-23 EP disclosed
US-5780480-A THROMBOLYTIC AGENTS, ANTICOAGULANTS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed
EP-0275888-B1 Tricyclic benzimidazoles, process for their preparation and use as medicaments BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
US-4954498-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 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 (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-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use BCL6, BCL6B, BCL3 KIF11 3728/4885SIRT2 2357/4885PGR 4327/4885
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A1, ALDH2 KIF11 1504/4885SIRT2 726/4885PGR 2855/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 KIF11 1184/4885SIRT2 679/4885PGR 3999/4885

“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.