SCHEMBL3247808

SCHEMBL3247808

O=[C]NC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.65
HDAC6 Q9UBN7 1/20 0.65
THRB P10828 1/20 0.59
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53

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
SCHEMBL2718279 0.84 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL7467601 0.84 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL3248996 0.84 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2000041 0.80 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL5361880 0.80 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL28017547 0.80 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
Nicoxamat SCHEMBL93839 0.79 HDAC1 (1.00) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2003906 0.77 THRB (0.68) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL833522 0.77 HDAC1 (0.54) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL27509859 0.77 HDAC1 (0.54) HDAC1HDAC6THRBLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981500-A Antiparasitic agents related to the milbemycins and avermectins PFIZER INC. (US) 1999-11-09 US claimed
EP-0677054-B1 NEW ANTIPARASITIC AGENTS RELATED TO THE MILBEMYCINS AND AVERMECTINS PFIZER (US) 1998-04-01 EP claimed
EP-0677054-A1 NEW ANTIPARASITIC AGENTS RELATED TO THE MILBEMYCINS AND AVERMECTINS PFIZER INC. (US) 1995-10-18 EP claimed
WO-1994015944-A1 NEW ANTIPARASITIC AGENTS RELATED TO THE MILBEMYCINS AND AVERMECTINS PFIZER LIMITED (GB) 1994-07-21 WO claimed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (2 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HDAC1 90/4885HDAC6 505/4885THRB 1918/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD HDAC1 126/4885HDAC6 354/4885THRB 471/4885

“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.