SCHEMBL334478

SCHEMBL334478

O=[C]C=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.48
MGLL Q99685 2/20 0.48
CA1 P00915 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.39
TRPM2 O94759 1/20 0.39
LTB4R Q15722 1/20 0.39
CTRC Q99895 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
MAOB P27338 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL334477 1.00 HDAC2 (0.48) HDAC2MGLLCA1HDAC1HDAC6
SCHEMBL6834934 0.86 MAOB (0.50) HDAC2CA1HDAC1HDAC6ALDH1A1
SCHEMBL27745 0.86 MAOB (0.50) HDAC2CA1HDAC1HDAC6ALDH1A1
SCHEMBL27746 0.86 MAOB (0.50) HDAC2CA1HDAC1HDAC6ALDH1A1
SCHEMBL8499276 0.82 BCL2L1 (0.43) HDAC2CA1HDAC1HDAC6MAOB
SCHEMBL8499272 0.82 BCL2L1 (0.43) HDAC2CA1HDAC1HDAC6MAOB
SCHEMBL1287794 0.78 KDM4E (0.52) HDAC2MGLLCA1HDAC1HDAC6
SCHEMBL11265587 0.78 KDM4E (0.52) HDAC2MGLLCA1HDAC1HDAC6
SCHEMBL9171323 0.78 CA1 (0.62) HDAC2MGLLCA1HDAC1HDAC6
SCHEMBL76158 0.78 CA1 (0.62) HDAC2MGLLCA1HDAC1HDAC6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2010-06-10 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
EP-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP 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
WO-2008124756-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-10-16 WO disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
WO-2007129952-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS NEOBIOTICS AB (SE) 2007-11-15 WO disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 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
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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 (5 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 HDAC2 1767/4885MGLL 1783/4885CA1 789/4885
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD HDAC2 1891/4885MGLL 2760/4885CA1 898/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 HDAC2 4176/4885MGLL 3106/4885CA1 4648/4885
US-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER BDKRB1, BDKRB2, HPGDS HDAC2 1756/4885MGLL 3645/4885CA1 513/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 HDAC2 469/4885MGLL 3380/4885CA1 3619/4885

“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.