SCHEMBL4315147

SCHEMBL4315147

CC(C)CC/N=C(\NCC(C)(C)CN)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
LTA4H P09960 1/20 0.45
MAPK1 P28482 1/20 0.43
GHSR Q92847 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
PTGES O14684 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
MAOB P27338 1/20 0.37
F10 P00742 1/20 0.37
SPHK2 Q9NRA0 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
SCHEMBL4315149 1.00 PDK1 (0.46) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL4318290 0.90 LTA4H (0.47) LTA4HMEN1KMT2A
SCHEMBL4318292 0.90 LTA4H (0.47) LTA4HMEN1KMT2A
SCHEMBL4325898 0.85 LTA4H (0.46) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL4325900 0.85 LTA4H (0.46) PDK1PDK2PDK3PDK4LTA4H
Trifluoroacetic Acid SCHEMBL4323806 0.84 LTA4H (0.47) LTA4H
Trifluoroacetic Acid SCHEMBL4323809 0.84 LTA4H (0.47) LTA4H
SCHEMBL5165938 0.82 GHSR (0.41) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL4318258 0.79 LTA4H (0.43) LTA4HMEN1KMT2A
SCHEMBL4318259 0.79 LTA4H (0.43) LTA4HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582656-B2 Guanidine derivatives and therapeutic uses thereof MERCK PATENT GESELLSCHAFT (DE) 2009-09-01 US claimed
US-7582656-B2 Guanidine derivatives and therapeutic uses thereof MERCK PATENT GESELLSCHAFT (DE) 2009-09-01 US disclosed
US-20080004315-A1 Guanidine Derivatives and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
EP-1771428-A1 GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF MERCK PATENT GmbH (DE) 2007-04-11 EP disclosed
WO-2006010422-A1 GUANIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-02-02 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-20080004315-A1 Guanidine Derivatives and Therapeutic Uses Thereof GMPS, GUCY1A2, GUCY1A1 PDK1 2232/4885PDK2 1494/4885PDK3 1776/4885

“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.