SCHEMBL14944829

SCHEMBL14944829

CNCc1ccc(CCN(CC(C)=O)C(=O)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.35
MMP8 P22894 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR2 O95136 2/20 0.33
RCE1 Q9Y256 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL14944827 0.93 LMNA (0.37) KDM4ECYP3A4MAPTKMT2AMEN1
SCHEMBL14944826 0.85 MAPT (0.38) KDM4ECYP3A4MAPTKMT2ANOS3
SCHEMBL10045691 0.71 ALDH1A1 (0.42) CYP3A4MAPTKMT2AMEN1NPC1
SCHEMBL20943216 0.68 FFAR1 (0.61) ALDH1A1CA1CA2FFAR1
SCHEMBL15372708 0.68 LOXL2 (0.44) KDM4ECYP3A4MAPTNOS3NOS1
SCHEMBL11076678 0.67 POLB (0.48) KDM4ECYP3A4MAPTKMT2AMEN1
SCHEMBL3440215 0.67 HRH3 (0.61) KDM4ECYP3A4MAPTNOS3NOS1
SCHEMBL27858079 0.66 HRH3 (0.51) KDM4ECYP3A4MAPTNOS3NOS1
N-Benzylmethylamine SCHEMBL432493 0.65 MAPT (0.74) KDM4ECYP3A4MAPTKMT2AMEN1
N-Benzylmethylamine SCHEMBL27884857 0.65 KDM4E (0.74) KDM4ECYP3A4MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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 (1 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A KDM4E 21/4885CYP3A4 2261/4885MAPT 4218/4885

“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.