SCHEMBL4322690

SCHEMBL4322690

NCCCNC(=S)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
QPCT Q16769 3/20 0.64
ALDH1A1 P00352 8/20 0.64
LMNA P02545 4/20 0.62
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.62
RECQL P46063 1/20 0.62
LTA4H P09960 3/20 0.62
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPKAPK2 P49137 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL15224205 0.82 KMT2A (0.68) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4325474 0.81 MEN1 (0.67) KMT2AMEN1CYP1A2CYP2C19QPCT
SCHEMBL4322685 0.80 MAPK1 (0.58) KMT2ACYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL4319602 0.79 LTA4H (0.55) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL4319604 0.79 LTA4H (0.55) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL25181231 0.79 KMT2A (0.76) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL5051514 0.79 KMT2A (0.56) KMT2AMEN1CYP1A2CYP2C19QPCT
SCHEMBL3424405 0.78 MEN1 (0.74) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL4318327 0.77 GAA (0.57) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL3628440 0.77 QPCT (1.00) KMT2AMEN1CYP1A2CYP2C19QPCT

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 KMT2A 4444/4885MEN1 4419/4885CYP1A2 224/4885

“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.