SCHEMBL10174114

SCHEMBL10174114

CC(=O)c1ccc(CCN2CCOCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HRH3 Q9Y5N1 2/20 0.51
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10174122 0.89 POLB (0.52) ALDH1A1KDM4EHRH3LMNAEPHX2
SCHEMBL12937241 0.87 HRH3 (0.60) KDM4EHRH3EPHX2
SCHEMBL12804795 0.87 CD274 (0.48) ALDH1A1KDM4EHRH3GAASMN1; SMN2
SCHEMBL10174120 0.86 HRH3 (0.48) HRH3LMNAEPHX2
SCHEMBL30911745 0.86 HRH3 (0.66) ALDH1A1KDM4EHRH3SMN1; SMN2HIF1A
SCHEMBL10174121 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL10174117 0.83 HRH3 (0.46) ALDH1A1KDM4EHRH3GAAEPHX2
SCHEMBL15426234 0.83 GAA (0.46) ALDH1A1KDM4EHRH3GAASMN1; SMN2
SCHEMBL10193853 0.83 GAA (0.46) ALDH1A1KDM4EHRH3GAASMN1; SMN2
SCHEMBL10174124 0.81 EPHX2 (0.39) ALDH1A1KDM4EHRH3EPHX2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF ARISAPH PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF ARISAPH PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9212142-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-12-15 US disclosed
US-9212142-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-12-15 US disclosed
US-20150094303-A1 Niacin Mimetics, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE 2015-04-02 US disclosed
US-20150094303-A1 Niacin Mimetics, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE 2015-04-02 US disclosed
US-8937063-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-20 US disclosed
US-8937063-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-20 US disclosed
US-20140018359-A1 Niacin Mimetics, and Methods of Use Thereof Arisaph Pharmaceuticals (US) 2014-01-16 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-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
US-20120077807-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 US disclosed
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 US disclosed
US-20120077808-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 (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-20150094303-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NADK, NAPRT ALDH1A1 772/4885KDM4E 4511/4885HRH3 697/4885
US-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF NAMPT, NNT, NAPRT ALDH1A1 564/4885KDM4E 3805/4885HRH3 1233/4885
US-20140018359-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NNT, NAPRT ALDH1A1 564/4885KDM4E 3805/4885HRH3 1233/4885
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NADK, NAPRT ALDH1A1 772/4885KDM4E 4511/4885HRH3 697/4885
US-20120077807-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF NAMPT, NNT, NAPRT ALDH1A1 564/4885KDM4E 3805/4885HRH3 1233/4885

“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.