SCHEMBL13611537

SCHEMBL13611537

CCOc1ccc(C(=O)NCC(C)NC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 1.00
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL13611536 0.96 DGAT1 (1.00) DGAT1MEN1KMT2A
SCHEMBL4296604 0.90 DGAT1 (0.82) DGAT1
SCHEMBL4298311 0.90 DGAT1 (0.82) DGAT1
SCHEMBL4296757 0.90 DGAT1 (0.82) DGAT1
SCHEMBL4300677 0.90 DGAT1 (0.81) DGAT1
SCHEMBL4300673 0.90 DGAT1 (0.81) DGAT1
SCHEMBL4297982 0.90 DGAT1 (0.81) DGAT1
SCHEMBL13611560 0.89 DGAT1 (0.80) DGAT1
SCHEMBL4291945 0.89 DGAT1 (0.80) DGAT1
SCHEMBL4291942 0.89 DGAT1 (0.80) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8778305-B2 PSMA-binding agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-15 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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 (2 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 DGAT1 3/4885MEN1 4145/4885KMT2A 710/4885
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DGAT1 4650/4885MEN1 1067/4885KMT2A 3316/4885

“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.