SCHEMBL442580

SCHEMBL442580

CCOC(=O)c1ccc(C(=O)NNC(=O)C(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
P4HTM Q9NXG6 3/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 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
SCHEMBL1971939 0.79 MAPK1 (0.61) MAPK1ALDH1A1KDM4EHTTRAB9A
SCHEMBL29637478 0.79 MAPK1 (0.61) MAPK1ALDH1A1KDM4EHTTRAB9A
SCHEMBL4295029 0.79 MAPK1 (0.62) MAPK1ALDH1A1KDM4EHTTP4HTM
SCHEMBL370722 0.76 P4HTM (0.59) MAPK1KDM4EP4HTMGABRPGABRD
SCHEMBL16998556 0.76 MAPK1 (0.53) MAPK1ALDH1A1KDM4EP4HTMRAB9A
SCHEMBL4255821 0.75 KDM4E (0.57) MAPK1ALDH1A1KDM4EHTTP4HTM
SCHEMBL11386893 0.75 MAPK1 (0.51) MAPK1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7356681 0.75 MAPK1 (0.75) MAPK1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL13162484 0.74 MAPK1 (0.51) MAPK1ALDH1A1KDM4EP4HTMRAB9A
SCHEMBL2109944 0.74 MAPK1 (0.50) MAPK1ALDH1A1KDM4ERAB9ASMN1; SMN2

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-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 MAPK1 2805/4885ALDH1A1 272/4885KDM4E 2452/4885

“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.