SCHEMBL4486555

SCHEMBL4486555

COC(=O)CNC(=O)c1ccc(C(=O)N(N)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.43
VEGFA P15692 4/20 0.42
FLT1 P17948 4/20 0.42
EGLN3 Q9H6Z9 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AHR P35869 1/20 0.41
STAMBP O95630 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
XDH P47989 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4469287 0.91 EGLN1 (0.43) EGLN1VEGFAFLT1EGLN3KDM4E
SCHEMBL4496850 0.83 DGAT2 (0.38) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL4486547 0.75 MEN1 (0.58) MEN1KMT2AAHRP4HTM
SCHEMBL8869868 0.75 P4HTM (0.66) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL4478208 0.75 GABRA5 (0.40) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL4469281 0.74 MEN1 (0.56) MEN1KMT2AAHRP4HTM
SCHEMBL8870393 0.72 P4HTM (0.49) EGLN1VEGFAFLT1EGLN3P4HTM
SCHEMBL31170984 0.71 KDM4E (0.49) EGLN1VEGFAFLT1EGLN3KDM4E
SCHEMBL29124418 0.71 KDM4E (0.49) EGLN1VEGFAFLT1EGLN3KDM4E
SCHEMBL12923841 0.71 KDM4E (0.53) EGLN1VEGFAFLT1EGLN3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US claimed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP claimed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 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 (2 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 EGLN1 409/4885VEGFA 4678/4885FLT1 4519/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 EGLN1 609/4885VEGFA 4846/4885FLT1 4579/4885

“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.