SCHEMBL3536640

SCHEMBL3536640

CCCCN(CC)C(=O)C1CCCc2sc(NC(=N)N)nc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
XIAP P98170 2/20 0.32
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
CRHR1 P34998 1/20 0.31
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK10 P53779 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
THRB P10828 2/20 0.30
TSHR P16473 1/20 0.30
DUSP22 Q9NRW4 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL13314806 1.00 MAPT (0.33) MAPTLMNAABCC1ABCG2XIAP
Formic Acid SCHEMBL3599825 0.96 MAPT (0.31) MAPTLMNAABCC1ABCG2XIAP
SCHEMBL13314801 0.90 XIAP (0.33) MAPTLMNAABCC1ABCG2XIAP
SCHEMBL3543834 0.90 XIAP (0.33) MAPTLMNAABCC1ABCG2XIAP
SCHEMBL6208451 0.84 LMNA (0.32) MAPTLMNAABCC1ABCG2TSHR
SCHEMBL13314800 0.80 XIAP (0.40) MAPTLMNAXIAPTP53GAA
SCHEMBL13314796 0.79 XIAP (0.37) MAPTLMNAXIAPTP53RAB9A
SCHEMBL3542684 0.79 XIAP (0.37) MAPTLMNAXIAPTP53RAB9A
SCHEMBL3539844 0.77 PARP1 (0.44) MAPTLMNAXIAPGAARAB9A
SCHEMBL13314787 0.77 PARP1 (0.44) MAPTLMNAXIAPGAARAB9A

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 1891/4885LMNA 2988/4885ABCC1 2956/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885LMNA 866/4885ABCC1 4651/4885

“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.