SCHEMBL4322685

SCHEMBL4322685

NCCCNC(=S)Nc1ccccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
GAA P10253 3/20 0.54
ALOX12 P18054 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
BRD4 O60885 3/20 0.54
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4322690 0.80 KMT2A (0.68) GAAALOX12CYP1A2CYP2C19KMT2A
SCHEMBL18586598 0.78 BRD4 (0.63) MAPK1GAACYP1A2CYP2C19BRD4
SCHEMBL5232194 0.76 ALDH1A1 (0.62) MAPK1GAAALOX12CYP1A2CYP3A4
SCHEMBL4297414 0.73 BRD4 (0.74) GAABRD4MAPTNPC1RAB9A
SCHEMBL15224205 0.73 KMT2A (0.68) MAPK1GAAALOX12CYP3A4KMT2A
SCHEMBL5174575 0.72 BRD4 (0.68) MAPK1GAACYP1A2CYP2D6CYP2C19
SCHEMBL5148514 0.72 BRD4 (0.63) GAABRD4HTTTDP1L3MBTL1
SCHEMBL5025569 0.72 SMN1; SMN2 (0.54) ALOX12CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4985731 0.71 BRD4 (0.67) MAPK1GAABRD4KMT2AMAPT
SCHEMBL3619403 0.71 BRD4 (0.77) MAPK1GAABRD4MAPTNPC1

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 MAPK1 2156/4885GAA 376/4885ALOX12 2017/4885

“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.