SCHEMBL3537267

SCHEMBL3537267

N=C(N)Nc1nc2c(s1)CC(c1ccccc1)(c1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.37
TMIGD3 P0DMS9 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPT P10636 6/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 5/20 0.35
GAA P10253 2/20 0.35
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
HPGD P15428 2/20 0.34
CASP3 P42574 1/20 0.34

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 SCHEMBL3535197 0.94 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3537885 0.83 ALDH1A1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13314825 0.83 ALDH1A1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3535201 0.82 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
Bromide SCHEMBL3538791 0.82 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3543197 0.79 TMIGD3 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13314864 0.79 TMIGD3 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3536883 0.77 OPRM1 (0.43) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL13314823 0.77 OPRM1 (0.43) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3537276 0.77 PDK1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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 9 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-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 ALDH1A1 1895/4885NPC1 3023/4885RAB9A 4051/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 ALDH1A1 4570/4885NPC1 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.