SCHEMBL3536735

SCHEMBL3536735

N=C(N)Nc1nc2c(s1)CC(c1cccs1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 7/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 8/20 0.40
LMNA P02545 7/20 0.40
HTT P42858 4/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
PTBP1 P26599 1/20 0.39

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
Formic Acid SCHEMBL3539285 0.95 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3539288 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13314768 0.82 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3536226 0.82 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13314838 0.79 MAPT (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3538231 0.79 MAPT (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13314858 0.79 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13314851 0.78 LMNA (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3541679 0.78 MAPT (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13314834 0.78 MAPT (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 7 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
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 4051/4885SMN1; SMN2 399/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 NPC1 1533/4885RAB9A 3671/4885SMN1; 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.