SCHEMBL13745302

SCHEMBL13745302

O=C1[C@H](Cc2ccccc2)N2C(=O)CN(Cc3ccccc3)N(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.53
CLPP Q16740 1/20 0.53

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
SCHEMBL13745299 0.96 CYP3A4 (0.59) CYP3A4CLPP
SCHEMBL13745304 0.92 CYP3A4 (0.47) CYP3A4CLPP
SCHEMBL13744946 0.91 CYP3A4 (0.47) CYP3A4CLPP
SCHEMBL13745195 0.90 CLPP (0.55) CYP3A4CLPP
SCHEMBL13745213 0.89 CYP3A4 (0.51) CYP3A4CLPP
SCHEMBL13745516 0.89 CYP3A4 (0.51) CYP3A4CLPP
SCHEMBL14620552 0.88 CYP3A4 (0.53) CYP3A4CLPP
SCHEMBL13744952 0.88 CYP3A4 (0.43) CYP3A4
SCHEMBL749339 0.87 CTNNB1 (0.55) CYP3A4CLPP
SCHEMBL749521 0.87 CTNNB1 (0.55) CYP3A4CLPP

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 4483/4885CLPP 3986/4885

“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.