SCHEMBL4883742

SCHEMBL4883742

CC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
AURKA O14965 9/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
ATM Q13315 1/20 0.52
TP53 P04637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7967327 0.82 MEN1 (0.67) MAPTAURKAL3MBTL1ATMTP53
SCHEMBL6682360 0.79 ALDH1A1 (0.71) MAPTAURKAL3MBTL1ATMTP53
SCHEMBL30864224 0.77 MEN1 (0.60) MAPTAURKAL3MBTL1TP53ALDH1A1
SCHEMBL28344570 0.76 ALDH1A1 (0.55) MAPTAURKAL3MBTL1ATMTP53
SCHEMBL28176242 0.73 ALDH1A1 (0.55) MAPTAURKAL3MBTL1ATMTP53
SCHEMBL28771391 0.72 ALDH1A1 (0.78) MAPTAURKAL3MBTL1ATMTP53
SCHEMBL22095188 0.72 MAPT (0.78) MAPTAURKATP53ALDH1A1MEN1
SCHEMBL4501557 0.72 ALDH1A1 (0.82) MAPTAURKAL3MBTL1ATMTP53
SCHEMBL4257667 0.71 ALDH1A1 (0.72) MAPTL3MBTL1ATMALDH1A1MEN1
SCHEMBL6683128 0.71 L3MBTL1 (0.73) MAPTAURKAL3MBTL1ATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed

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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 MAPT 1971/4885AURKA 2283/4885L3MBTL1 1303/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MAPT 1917/4885AURKA 2251/4885L3MBTL1 1362/4885

“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.