SCHEMBL440469

SCHEMBL440469

O=C(NCCNC(=O)N1CCC(c2nc(-c3cnccn3)no2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.54
KCNH2 Q12809 3/20 0.54
DGAT1 O75907 9/20 0.49
CACNA1C Q13936 2/20 0.48
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
SMO Q99835 2/20 0.44

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 0.90 EPHX2 (0.53) EPHX2KCNH2DGAT1CACNA1CTUBB4A
SCHEMBL442980 0.85 TSHR (0.51) DGAT1
SCHEMBL442251 0.84 MEN1 (0.51) EPHX2KCNH2DGAT1CACNA1CTUBB4A
SCHEMBL438045 0.83 EPHX1 (0.54) EPHX2KCNH2DGAT1TUBB4ATUBB
SCHEMBL442386 0.82 DGAT1 (0.56) DGAT1
SCHEMBL443339 0.82 DGAT1 (0.49) EPHX2KCNH2DGAT1CACNA1C
SCHEMBL443338 0.82 DGAT1 (0.49) EPHX2KCNH2DGAT1CACNA1C
SCHEMBL440819 0.80 DGAT1 (0.56) DGAT1
SCHEMBL438158 0.80 DGAT1 (0.53) DGAT1
SCHEMBL438954 0.79 DGAT1 (0.49) 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 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 EPHX2 1660/4885KCNH2 3797/4885DGAT1 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.