SCHEMBL4325474

SCHEMBL4325474

CC(C)CCNC(=S)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 7/20 0.66
RECQL P46063 1/20 0.61
QPCT Q16769 3/20 0.60
LMNA P02545 8/20 0.58
MAPT P10636 7/20 0.58
GAA P10253 3/20 0.58
ALOX12 P18054 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
LTA4H P09960 1/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL18756478 0.82 LMNA (0.71) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4322690 0.81 KMT2A (0.68) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL7453261 0.80 MEN1 (0.55) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL25181231 0.78 KMT2A (0.76) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL8706869 0.77 MEN1 (0.74) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL5165756 0.75 LTA4H (0.45) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL3632452 0.75 QPCT (1.00) QPCT
SCHEMBL25180583 0.75 NOX1 (0.67) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4322605 0.74 LTA4H (0.52) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4322601 0.74 LTA4H (0.52) MEN1KMT2ACYP1A2CYP2C19ALDH1A1

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 MEN1 4419/4885KMT2A 4444/4885CYP1A2 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.