SCHEMBL4551418

SCHEMBL4551418

CC(C)CN1CC2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)C(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CLPP Q16740 3/20 0.41
CYP3A4 P08684 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
KMT2A Q03164 1/20 0.37
SLC1A2 P43004 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
TCF4 P15884 1/20 0.36
CTNNB1 P35222 1/20 0.36
CREBBP Q92793 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
SCHEMBL745891 1.00 ALDH1A1 (0.43) ALDH1A1CLPPCYP3A4SMN1; SMN2CACNA1G
SCHEMBL747399 0.94 ALDH1A1 (0.42) ALDH1A1CLPPCYP3A4KMT2A
SCHEMBL747276 0.93 ALDH1A1 (0.49) ALDH1A1CLPPCYP3A4SMN1; SMN2CACNA1G
SCHEMBL749509 0.93 CYP3A4 (0.43) ALDH1A1CLPPCYP3A4CACNA1GCACNA1H
SCHEMBL744820 0.92 ALDH1A1 (0.39) ALDH1A1CLPPCYP3A4SMN1; SMN2CACNA1G
SCHEMBL746041 0.92 ALDH1A1 (0.38) ALDH1A1CLPPCYP3A4SMN1; SMN2CACNA1G
SCHEMBL12036390 0.90 CLPP (0.41) ALDH1A1CLPPCYP3A4
SCHEMBL744660 0.90 CACNA1G (0.46) CLPPCYP3A4CACNA1GCACNA1HCACNA1I
SCHEMBL14629508 0.89 ALDH1A1 (0.44) ALDH1A1CLPPCYP3A4CACNA1GCACNA1H
SCHEMBL744761 0.89 CYP3A4 (0.44) ALDH1A1CLPPCYP3A4CACNA1GCACNA1H

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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION CHOONGWAE PHARMA CORPORATION (KR) 2009-08-27 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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION MYLK2, TNNC1, MYH2 ALDH1A1 648/4885CLPP 3986/4885CYP3A4 4483/4885

“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.