SCHEMBL13197397

SCHEMBL13197397

[C-]#[N+]c1cc(C(C)C)c2oc(-c3ccc(C(=O)NCc4ccc(Cc5cccc(C(F)(F)F)c5)cc4)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.51
KCNH2 Q12809 2/20 0.51
MLYCD O95822 1/20 0.42
RORC P51449 1/20 0.41
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.40
DDR2 Q16832 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2837242 0.87 CETP (0.68) CETPKCNH2
SCHEMBL13059815 0.82 ALDH1A1 (0.59) CETPKCNH2
SCHEMBL13059814 0.82 ALDH1A1 (0.59) CETPKCNH2
SCHEMBL13059817 0.80 CETP (0.51) CETPKCNH2
SCHEMBL13197392 0.80 CETP (0.54) CETPKCNH2
SCHEMBL13059792 0.78 CETP (0.55) CETPKCNH2
SCHEMBL13059726 0.78 CETP (0.59) CETPKCNH2
SCHEMBL13197387 0.77 CETP (0.54) CETPKCNH2MAPTHPGDSMN1; SMN2
SCHEMBL13197389 0.76 CETP (0.48) CETPKCNH2
SCHEMBL13059736 0.75 CETP (0.54) CETPKCNH2

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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885KCNH2 3407/4885MLYCD 3963/4885

“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.