SCHEMBL4319602

SCHEMBL4319602

NCCCN/C(=N\CCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.55
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL4319604 1.00 LTA4H (0.55) LTA4HKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4322601 0.87 LTA4H (0.52) LTA4HKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4322605 0.87 LTA4H (0.52) LTA4HKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4322690 0.79 KMT2A (0.68) LTA4HKMT2AMEN1CYP1A2CYP2C19
SCHEMBL5165101 0.78 NOS3 (0.47) LTA4HKMT2AMEN1EPHX2
SCHEMBL4325900 0.77 LTA4H (0.46) LTA4HKMT2AMEN1LMNA
SCHEMBL4325898 0.77 LTA4H (0.46) LTA4HKMT2AMEN1LMNA
SCHEMBL5169205 0.75 MAOB (0.44) LTA4H
SCHEMBL4316758 0.74 MAOB (0.38) LTA4HKMT2AMEN1RAB9AEPHX2
SCHEMBL4316756 0.74 MAOB (0.38) LTA4HKMT2AMEN1RAB9AEPHX2

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 3247/4885KMT2A 4444/4885MEN1 4419/4885

“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.