SCHEMBL334261

SCHEMBL334261

O=[C]/C=C/Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ARG2 P78540 1/20 0.47
TOP1 P11387 1/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 1/20 0.39
CALM1 P0DP23 1/20 0.36
MAPK1 P28482 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
IDO1 P14902 2/20 0.34
EPHX2 P34913 1/20 0.34
AKR1B1 P15121 1/20 0.34
KCNH2 Q12809 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL145088 1.00 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL261253 1.00 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL6803900 0.85 MAOB (0.54) MAOBCA1CA2ARG2TOP1
SCHEMBL6803903 0.85 MAOB (0.54) MAOBCA1CA2ARG2TOP1
SCHEMBL5254612 0.78 GPR52 (0.50) HCAR2
SCHEMBL146890 0.78 GPR52 (0.50) HCAR2
SCHEMBL2300477 0.78 AGXT (0.39) MAOBCA1CA2IDO1TP53
SCHEMBL10563302 0.77 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL9718255 0.77 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL155054 0.77 MAOB (1.00) MAOBCA1CA2ARG2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302608-A Antidiabetic, anticholesterol agents; vision disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-12 US claimed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0369453-A2 AGE-formation inhibitory agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0051467-B1 HEXITOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1986-08-13 EP disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4419522-A ANTITUMOR AGENTS CHINOIN GYOGYSZER VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-12-06 US disclosed
EP-0051467-A1 Hexitol derivatives, their preparation and pharmaceutical compositions containing them CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1982-05-12 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 (4 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-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance ARG1, ARGLU1, VIP MAOB 4030/4885CA1 789/4885CA2 1411/4885
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD MAOB 4266/4885CA1 898/4885CA2 1730/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 MAOB 4469/4885CA1 4648/4885CA2 3516/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 MAOB 3413/4885CA1 3619/4885CA2 2935/4885

“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.