SCHEMBL3536082

SCHEMBL3536082

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CG P48736 4/20 0.39
F10 P00742 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3534566 0.87 GRM5 (0.53) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3534569 0.86 KMT2A (0.46) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3541842 0.84 KMT2A (0.44) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL9385295 0.79 GRM5 (0.51) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3532904 0.77 GAA (0.61) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL10825327 0.77 GAA (0.42) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3537610 0.76 GRAMD1A (0.45) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3541476 0.76 GAA (0.46) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3532740 0.75 GAA (0.50) NPC1RAB9AKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL17631987 0.74 RAB9A (0.43) NPC1RAB9AKMT2AALDH1A1GAA

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 10 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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 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 NPC1 3023/4885RAB9A 4051/4885KMT2A 2856/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 NPC1 1533/4885RAB9A 3671/4885KMT2A 632/4885

“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.