SCHEMBL948621

SCHEMBL948621

CC(C)(C)OC(=O)N1CCC(N2Cc3cnc(COC(=O)NC4CCCCC4)n3C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
LMNA P02545 2/20 0.40
PIK3CD O00329 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
FPR2 P25090 1/20 0.37
USP30 Q70CQ3 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
Hydrochloric Acid SCHEMBL949142 0.83 EPHX1 (0.37) EPHX1MEN1KMT2AALDH1A1F2
SCHEMBL947633 0.82 F10 (0.50) KDM4EHCAR1TP53FPR2F2
SCHEMBL948092 0.82 TP53 (0.44) KDM4EHCAR1TP53FPR2F2
SCHEMBL948188 0.82 HCAR1 (0.37) EPHX1KDM4EHCAR1TP53FPR2
SCHEMBL948889 0.81 TP53 (0.43) KDM4EHCAR1TP53FPR2F2
SCHEMBL948472 0.81 F10 (0.38) LMNAMEN1KMT2AKDM4EHCAR1
SCHEMBL950492 0.81 TP53 (0.40) KDM4EHCAR1TP53FPR2F2
SCHEMBL948908 0.80 L3MBTL1 (0.37) MEN1KMT2AALDH1A1HCAR1TP53
SCHEMBL949698 0.80 TP53 (0.38) KDM4EHCAR1TP53FPR2F2
SCHEMBL949102 0.80 TP53 (0.39) KDM4EHCAR1TP53FPR2F2

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 EPHX1 789/4885LMNA 2660/4885PIK3CD 3342/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 EPHX1 894/4885LMNA 2787/4885PIK3CD 3125/4885

“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.