SCHEMBL14944827

SCHEMBL14944827

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR2 O95136 3/20 0.35
S1PR4 O95977 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PLK1 P53350 1/20 0.34
GMNN O75496 1/20 0.34

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
SCHEMBL14944829 0.93 KDM4E (0.36) MMP8ALDH1A1S1PR1S1PR3S1PR2
SCHEMBL14944826 0.84 MAPT (0.38) LMNAMMP8ALDH1A1MAPTKDM4E
SCHEMBL10045700 0.72 ALDH1A1 (0.45) LMNAALDH1A1MAPTCYP3A4HSD17B10
SCHEMBL20943237 0.67 TNKS2 (0.46) LMNAALDH1A1S1PR1S1PR3S1PR2
SCHEMBL10045691 0.67 ALDH1A1 (0.42) LMNAALDH1A1MAPTCYP3A4MEN1
SCHEMBL20943216 0.67 FFAR1 (0.61) LMNAALDH1A1
SCHEMBL11076678 0.66 POLB (0.48) LMNAMMP8ALDH1A1MAPTKDM4E
SCHEMBL24757132 0.64 MMP8 (0.53) LMNAMMP8ALDH1A1MAPTKDM4E
SCHEMBL12954598 0.64 PLK1 (0.53) LMNAALDH1A1S1PR1S1PR3S1PR2
N-Benzylmethylamine SCHEMBL27884857 0.64 KDM4E (0.74) ALDH1A1MAPTKDM4ECYP3A4MEN1

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 LMNA 3066/4885MMP8 1369/4885ALDH1A1 1149/4885

“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.