SCHEMBL4318259

SCHEMBL4318259

CC(C)CCN=C(NCC(C)(C)CN(C)C)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.43
NOX1 Q9Y5S8 2/20 0.43
NPY5R Q15761 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 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
SCHEMBL4318258 1.00 LTA4H (0.43) LTA4HNOX1NPY5RNPC1RAB9A
SCHEMBL4318292 0.89 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4318290 0.89 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5166446 0.88 RAB9A (0.37) LTA4HNOX1NPY5RNPC1RAB9A
SCHEMBL5165756 0.87 LTA4H (0.45) LTA4HNOX1NPY5RNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4323809 0.83 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL4323806 0.83 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4315149 0.79 PDK1 (0.46) LTA4HMEN1KMT2A
SCHEMBL4315147 0.79 PDK1 (0.46) LTA4HMEN1KMT2A
SCHEMBL4322605 0.79 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1

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 4 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 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 LTA4H 3247/4885NOX1 145/4885NPY5R 871/4885

“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.