SCHEMBL13411546

SCHEMBL13411546

CC(=O)OCc1ccc(NC(C)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 1/20 0.40
TPSAB1 Q15661 2/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
CA2 P00918 3/20 0.38
PLAU P00749 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL11946728 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL12109340 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL21298844 0.81 LTA4H (0.60) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL20435047 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL12848669 0.79 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL132773 0.78 ALDH1A1 (0.78) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL12285735 0.78 ALDH1A1 (0.60) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL25002073 0.77 MEN1 (0.54) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL18019337 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL2968894 0.76 MEN1 (0.63) ALDH1A1CYP3A4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 ALDH1A1 2439/4885CYP3A4 578/4885MEN1 4664/4885

“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.