SCHEMBL3540501

SCHEMBL3540501

CC1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
ALDH1A1 P00352 10/20 0.57
MAPT P10636 9/20 0.57
TP53 P04637 5/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.52
LMNA P02545 7/20 0.52
THRB P10828 2/20 0.52
HTT P42858 2/20 0.51
ALOX12 P18054 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PDK1 Q15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13314769 1.00 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13314761 0.89 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3532844 0.89 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13314763 0.82 MAPT (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3539167 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3536479 0.82 MAPT (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13314760 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4421639 0.81 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3542473 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13314762 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US claimed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO 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 RAB9A 4051/4885NPC1 3023/4885SMN1; SMN2 399/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 RAB9A 3671/4885NPC1 1533/4885SMN1; SMN2 1337/4885

“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.