SCHEMBL4322601

SCHEMBL4322601

CC(C)CC/N=C(\NCCCN)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4322605 1.00 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4325898 0.89 LTA4H (0.46) LTA4HMEN1KMT2A
SCHEMBL4325900 0.89 LTA4H (0.46) LTA4HMEN1KMT2A
SCHEMBL5169205 0.88 MAOB (0.44) LTA4H
SCHEMBL4319604 0.87 LTA4H (0.55) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4319602 0.87 LTA4H (0.55) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4316756 0.87 MAOB (0.38) LTA4HRAB9AMEN1KMT2A
SCHEMBL4316758 0.87 MAOB (0.38) LTA4HRAB9AMEN1KMT2A
SCHEMBL4318290 0.84 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4318292 0.84 LTA4H (0.47) 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 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 LTA4H 3247/4885NPC1 1813/4885RAB9A 478/4885

“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.