SCHEMBL3534569

SCHEMBL3534569

CCCS(=O)(=O)N1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 4/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
PIK3CG P48736 4/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3541842 0.93 KMT2A (0.44) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL3536082 0.86 NPC1 (0.50) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL3534566 0.83 GRM5 (0.53) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL3532740 0.79 GAA (0.50) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL3532904 0.78 GAA (0.61) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL3537890 0.76 GAA (0.43) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL10825442 0.76 GAA (0.43) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL3536158 0.75 GRM5 (0.47) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL10825473 0.75 ALDH1A1 (0.44) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL9385295 0.75 GRM5 (0.51) KMT2ANPC1RAB9AGAAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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 (2 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 KMT2A 2856/4885NPC1 3023/4885RAB9A 4051/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 KMT2A 632/4885NPC1 1533/4885RAB9A 3671/4885

“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.