SCHEMBL3535006

SCHEMBL3535006

CN(CCc1ccccc1)C(=O)C1CCCc2sc(NC(=N)N)nc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
XIAP P98170 2/20 0.37
LMNA P02545 2/20 0.36
SLC12A2 P55011 1/20 0.36
SLC12A5 Q9H2X9 1/20 0.36
NAPEPLD Q6IQ20 6/20 0.36
F2 P00734 2/20 0.36
FLT3 P36888 1/20 0.36
ADRB3 P13945 1/20 0.36
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL13314804 1.00 MAPT (0.40) MAPTALDH1A1POLBXIAPLMNA
SCHEMBL6209623 0.85 MAPT (0.36) MAPTALDH1A1POLBLMNASLC12A2
SCHEMBL13314793 0.80 F2 (0.44) MAPTALDH1A1POLBXIAPF2
SCHEMBL3536190 0.80 F2 (0.44) MAPTALDH1A1POLBXIAPF2
SCHEMBL13314801 0.79 XIAP (0.33) MAPTALDH1A1XIAPLMNARAB9A
SCHEMBL3543834 0.79 XIAP (0.33) MAPTALDH1A1XIAPLMNARAB9A
SCHEMBL3533256 0.78 KRAS (0.49) POLBXIAPADRB3
SCHEMBL13314798 0.78 KRAS (0.49) POLBXIAPADRB3
SCHEMBL13314800 0.77 XIAP (0.40) MAPTALDH1A1POLBXIAPLMNA
SCHEMBL3536088 0.77 XIAP (0.40) MAPTALDH1A1POLBXIAPLMNA

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 4 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
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

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 MAPT 1891/4885ALDH1A1 1895/4885POLB 3270/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885ALDH1A1 4570/4885POLB 2406/4885

“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.