SCHEMBL5378213

SCHEMBL5378213

O=c1oc(=O)c2ccc(Cl)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
AHR P35869 4/20 0.50
DAO P14920 1/20 0.47
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
MCL1 Q07820 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
NQO1 P15559 1/20 0.40

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
SCHEMBL11728871 0.81 TTR (0.71) TTRCA1CA2AHRDAO
SCHEMBL29465920 0.81 TTR (0.71) TTRCA1CA2AHRDAO
SCHEMBL13140327 0.79 MAOB (0.48) TTRCA1CA2AHRDAO
SCHEMBL15842804 0.76 AHR (0.50) TTRCA1CA2AHRDAO
SCHEMBL22737968 0.75 AHR (0.78) TTRCA1CA2AHRDAO
SCHEMBL15240439 0.74 ROCK2 (0.48) TTRCA1CA2AHRDAO
SCHEMBL237891 0.73 AHR (0.79) TTRCA1CA2AHR
SCHEMBL20317232 0.73 TTR (0.56) TTRCA1CA2AHRCYP11B1
SCHEMBL30629167 0.73 PDE2A (0.77) AHRCDC25ACDC25CCA12CA9
SCHEMBL26768770 0.73 PDE2A (0.77) AHRCDC25ACDC25CCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 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 (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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 TTR 4049/4885CA1 4865/4885CA2 4432/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TTR 3726/4885CA1 4538/4885CA2 3795/4885

“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.