SCHEMBL2312949

SCHEMBL2312949

C=CCc1c(Br)ccc2c1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.39
▸ MAOA P21397 5/20 0.33
▸ MAOB P27338 5/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PPOX P50336 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ CASP3 P42574 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10582955 0.82 PARP1 (0.37) PARP1MAOAMAOBNPSR1PPOX
SCHEMBL7687363 0.81 PARP1 (0.44) PARP1MAOAMAOBNPSR1PPOX
SCHEMBL29823991 0.81 PARP1 (0.44) PARP1MAOAMAOBNPSR1PPOX
SCHEMBL4975643 0.81 PARP1 (0.39) PARP1MAOAMAOBNPSR1PPOX
SCHEMBL11615863 0.81 SRD5A1 (0.44) PARP1NPSR1PPOXALDH1A1POLB
SCHEMBL2344039 0.75 PARP1 (0.40) PARP1MAOAMAOBPPOXALDH1A1
Ethylene SCHEMBL7198620 0.73 PARP1 (0.47) PARP1MAOAMAOBNPSR1PPOX
SCHEMBL7024540 0.73 PARP1 (0.38) PARP1PPOXALDH1A1GSK3BHPGD
SCHEMBL3681061 0.73 PARP1 (0.50) PARP1MAOAMAOBNPSR1PPOX
SCHEMBL9762715 0.72 MAOA (0.44) PARP1MAOAMAOBGSK3BCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402448-B Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2023-03-17 — — CN claimed
CN-113402448-A Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2021-09-17 — — CN claimed
CN-113402448-B Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2023-03-17 — — CN disclosed
CN-113402448-B Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2023-03-17 — — CN disclosed
CN-113402448-A Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2021-09-17 — — CN disclosed
CN-113402448-A Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2021-09-17 — — CN disclosed
EP-3796900-A1 TRITERPENE AMINE DERIVATIVES DFH Therapeutics (US) 2021-03-31 — — EP disclosed
EP-2082041-B1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2018-03-14 — — EP disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 — — US disclosed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 — — US disclosed
EP-2481408-A2 New use of glutaminyl cyclase inhibitors Probiodrug AG (DE) 2012-08-01 — — EP disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 — — US disclosed
CN-1071333-A CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMA INC (US) 1993-04-28 — — CN disclosed
WO-1993004373-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1993-03-04 — — WO disclosed
WO-1993000906-A1 MUSCARINIC ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-01-21 — — WO disclosed
US-5021429-A Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers ALLEN & HANSBURYS LIMITED (GB) 1991-06-04 — — US disclosed
US-4613695-A ANTITUMOR AKTIEBOLAGET LEO (SE) 1986-09-23 — — US disclosed
EP-0194046-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-10 — — EP disclosed
US-4568685-A THROMBOXANE SYNTHETASE ENZYME INHIBITORS, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 — — US disclosed
US-4038412-A ANTI-VIRAL AGENTS RICHARDSON-MERRELL INC. (US) 1977-07-26 — — 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-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 PARP1 2764/4885MAOA 4636/4885MAOB 4714/4885

“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.

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