SCHEMBL5382452

SCHEMBL5382452

Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
KMT2A Q03164 2/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MGLL Q99685 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
C5AR1 P21730 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
ROCK2 O75116 1/20 0.41
PPIA P62937 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL5387518 0.85 EPHX2 (0.56) EPHX2KMT2ACYP11B1CYP11B2
SCHEMBL14428105 0.80 EPHX2 (0.51) EPHX2KMT2AMAPTNPC1RAB9A
SCHEMBL5383990 0.78 EPHX2 (0.48) EPHX2KMT2ACYP11B1CYP11B2PPIA
SCHEMBL5375951 0.78 EPHX2 (0.50) EPHX2KMT2ACYP11B1CYP11B2MGLL
SCHEMBL728117 0.77 EPHX2 (0.64) EPHX2KMT2AMAPTFABP7FABP5
SCHEMBL30877549 0.77 EPHX2 (0.72) EPHX2KMT2AMGLL
SCHEMBL8366872 0.77 EPHX2 (0.75) EPHX2KMT2AMAPTNPC1RAB9A
SCHEMBL7103741 0.76 EPHX2 (0.70) EPHX2KMT2AMGLLENPP2
SCHEMBL17151439 0.76 EPHX2 (0.74) EPHX2KMT2ATP53MAOAMAOB
SCHEMBL30094161 0.76 EPHX2 (0.74) EPHX2KMT2ATP53MAOAMAOB

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 EPHX2 3846/4885KMT2A 3738/4885CYP11B1 4406/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD EPHX2 2823/4885KMT2A 3545/4885CYP11B1 3980/4885

“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.