SCHEMBL643696

SCHEMBL643696

O=[N+]([O-])c1cccc2ccc[c]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 4/20 0.47
GPR35 Q9HC97 2/20 0.45
PDE10A Q9Y233 1/20 0.44
KMT2A Q03164 4/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
HSD17B10 Q99714 2/20 0.42
APEX1 P27695 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
NOS3 P29474 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4310351 0.77 TDP1 (0.49) ALDH1A1TDP1GPR35PDE10AKMT2A
SCHEMBL1179475 0.76 TDP1 (0.45) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL4306587 0.76 TDP1 (0.61) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL5777939 0.74 ALDH1A1 (0.47) ALDH1A1TDP1GPR35PDE10AKMT2A
SCHEMBL33832 0.74 TDP1 (0.46) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL7136437 0.74 TDP1 (0.46) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL41322 0.72 GPR35 (0.54) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL2075134 0.72 TDP1 (0.45) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL1036583 0.72 TDP1 (0.45) ALDH1A1TDP1GPR35KMT2ATSHR
SCHEMBL7907932 0.72 TDP1 (0.45) ALDH1A1TDP1GPR35KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN disclosed
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 CN disclosed
CN-107311889-B Compound and method for producing same 东京应化工业株式会社 2022-01-14 CN disclosed
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
CN-101925658-B Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2013-10-02 CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-7985287-B2 Anthrapyridone compound or a salt thereof, magenta ink composition containing the anthrapyridone compound and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
CN-1157288-A Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-08-20 CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-3959277-A Diimidazopyrazines and tetracarboxamidopyrazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-25 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 (1 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALDH1A1 1571/4885TDP1 1030/4885GPR35 3336/4885

“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.