SCHEMBL439993

SCHEMBL439993

O=C(NCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TSHR P16473 2/20 0.54
DGAT1 O75907 8/20 0.51
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 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
SCHEMBL441311 0.93 HPGD (0.55) ALDH1A1DGAT1HPGDGAA
SCHEMBL440637 0.89 DGAT1 (0.53) ALDH1A1DGAT1HPGDGAA
SCHEMBL443296 0.88 DGAT1 (0.48) ALDH1A1TSHRDGAT1
SCHEMBL437986 0.85 DGAT1 (0.55) TSHRDGAT1HPGD
SCHEMBL441604 0.85 DGAT1 (0.54) DGAT1HPGD
SCHEMBL441098 0.85 L3MBTL1 (0.55) ALDH1A1DGAT1HPGDGAA
SCHEMBL440582 0.84 DGAT1 (0.54) TSHRDGAT1
SCHEMBL441376 0.82 DGAT1 (0.49) ALDH1A1DGAT1HPGDGAA
SCHEMBL14305144 0.82 DGAT1 (0.53) TSHRDGAT1
SCHEMBL439353 0.81 DGAT1 (0.48) DGAT1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US claimed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO claimed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885TSHR 2375/4885DGAT1 2/4885

“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.