SCHEMBL10174128

SCHEMBL10174128

O=C(OC[C@H](OC(=O)c1ccc(CCN2CCOCC2)nc1)[C@@H](OC(=O)c1ccc(CCN2CCOCC2)nc1)[C@H](OC(=O)c1ccc(CCN2CCOCC2)nc1)[C@@H](COC(=O)c1ccc(CCN2CCOCC2)nc1)OC(=O)c1ccc(CCN2CCOCC2)nc1)c1ccc(CCN2CCCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 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
SCHEMBL10174139 0.96 GAA (0.44) EPHX2HRH3GAAKDM4EALDH1A1
SCHEMBL17482090 0.96 GAA (0.44) EPHX2HRH3GAAKDM4EALDH1A1
SCHEMBL15426235 0.88 GAA (0.40) EPHX2HRH3GAAKDM4EALDH1A1
SCHEMBL10174121 0.78 ALDH1A1 (0.54) GAAKDM4EALDH1A1HPGDATM
SCHEMBL12804795 0.76 CD274 (0.48) HRH3GAAKDM4EALDH1A1HPGD
SCHEMBL15426234 0.75 GAA (0.46) EPHX2HRH3GAAKDM4EALDH1A1
SCHEMBL10193853 0.75 GAA (0.46) EPHX2HRH3GAAKDM4EALDH1A1
SCHEMBL10193803 0.75 HRH3 (0.59) EPHX2CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL10174122 0.73 POLB (0.52) EPHX2HRH3KDM4EALDH1A1KMT2A
SCHEMBL10174114 0.73 ALDH1A1 (0.54) EPHX2HRH3GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212142-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-12-15 US disclosed
US-20140018359-A1 Niacin Mimetics, and Methods of Use Thereof Arisaph Pharmaceuticals (US) 2014-01-16 US disclosed
US-8450316-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-05-28 US disclosed
US-20120077807-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 US 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-20140018359-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NNT, NAPRT EPHX2 1894/4885CYP1A2 456/4885CYP2D6 340/4885
US-20120077807-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF NAMPT, NNT, NAPRT EPHX2 1894/4885CYP1A2 456/4885CYP2D6 340/4885

“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.