SCHEMBL13745299

SCHEMBL13745299

O=C1[C@H](Cc2ccc(O)cc2)N2C(=O)CN(Cc3ccccc3)N(C(=O)NCc3ccccc3)C2CN1Cc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.59
CTNNB1 P35222 2/20 0.56
TCF7 P36402 2/20 0.56
BCL9 O00512 1/20 0.56
TCF4 P15884 1/20 0.56
CLPP Q16740 1/20 0.56
CREBBP Q92793 1/20 0.56

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
SCHEMBL13745302 0.96 CYP3A4 (0.53) CYP3A4CLPP
SCHEMBL749339 0.92 CTNNB1 (0.55) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL749521 0.92 CTNNB1 (0.55) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL13028824 0.91 CYP3A4 (0.59) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL13745304 0.89 CYP3A4 (0.47) CYP3A4CLPP
SCHEMBL14629513 0.89 CYP3A4 (0.57) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL13028855 0.88 CYP3A4 (0.63) CYP3A4
SCHEMBL13744946 0.87 CYP3A4 (0.47) CYP3A4CLPP
SCHEMBL10224919 0.87 CYP3A4 (0.54) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL749056 0.87 CYP3A4 (0.54) CYP3A4CTNNB1TCF7BCL9TCF4

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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION CHOONGWAE PHARMA CORPORATION (KR) 2009-08-27 US disclosed
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 CYP3A4 4483/4885CTNNB1 966/4885TCF7 220/4885

“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.