SCHEMBL442980

SCHEMBL442980

O=C(NCCNC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DGAT1 O75907 5/20 0.48
KDM5B Q9UGL1 1/20 0.46
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL441511 0.85 EPHX2 (0.53) HTTDGAT1
SCHEMBL440469 0.85 EPHX2 (0.54) DGAT1
SCHEMBL442251 0.85 MEN1 (0.51) LMNAHTTMEN1KMT2ADGAT1
SCHEMBL438045 0.84 EPHX1 (0.54) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL439487 0.79 DGAT1 (0.49) ALDH1A1DGAT1KDM5B
SCHEMBL442372 0.79 DGAT1 (0.49) ALDH1A1DGAT1KDM5B
SCHEMBL440581 0.79 DGAT1 (0.60) ALDH1A1DGAT1KDM5B
SCHEMBL441709 0.79 DGAT1 (0.48) DGAT1
SCHEMBL10280215 0.78 DGAT1 (0.49) ALDH1A1DGAT1KDM5B
SCHEMBL438095 0.78 DGAT1 (0.49) ALDH1A1DGAT1

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-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

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 TSHR 2375/4885LMNA 4016/4885HTT 567/4885

“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.