SCHEMBL441709

SCHEMBL441709

CC1CN(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)CCC1c1nc(-c2ccccc2)no1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.48
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43
TUBB1 Q9H4B7 3/20 0.43
SMO Q99835 1/20 0.41

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
SCHEMBL438045 0.82 EPHX1 (0.54) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL442251 0.82 MEN1 (0.51) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL441511 0.82 EPHX2 (0.53) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL441745 0.80 DGAT1 (0.51) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL441744 0.80 DGAT1 (0.51) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL443378 0.79 DGAT1 (0.54) DGAT1
SCHEMBL440841 0.79 DGAT1 (0.52) DGAT1
SCHEMBL442980 0.79 TSHR (0.51) DGAT1
SCHEMBL437965 0.79 DGAT1 (0.54) DGAT1
SCHEMBL440469 0.78 EPHX2 (0.54) DGAT1TUBB4ATUBBTUBA3CTUBA1B

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 DGAT1 2/4885TUBB4A 1850/4885TUBB 1604/4885

“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.