SCHEMBL3535979

SCHEMBL3535979

COc1ccc(C2CCc3nc(NC(=N)N)sc3C2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
LMNA P02545 5/20 0.46
THRB P10828 2/20 0.46
ROCK2 O75116 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
TP53 P04637 4/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 4/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL13314842 1.00 MAPT (0.46) MAPTLMNATHRBROCK2PDE4A
Formic Acid SCHEMBL3533664 0.95 MAPT (0.45) MAPTLMNATHRBROCK2PDE4A
SCHEMBL3534563 0.87 MAPT (0.52) MAPTLMNATHRBTP53MAPK1
SCHEMBL13314827 0.87 MAPT (0.52) MAPTLMNATHRBTP53MAPK1
Bromide SCHEMBL3538499 0.86 MAPT (0.51) MAPTLMNATHRBTP53MAPK1
SCHEMBL13314854 0.86 MAPT (0.48) MAPTLMNATHRBROCK2TP53
SCHEMBL3544686 0.86 MAPT (0.48) MAPTLMNATHRBROCK2TP53
SCHEMBL13314851 0.84 LMNA (0.46) MAPTLMNATHRBTP53MAPK1
SCHEMBL3534984 0.84 LMNA (0.46) MAPTLMNATHRBTP53MAPK1
SCHEMBL13314850 0.82 MAPT (0.46) MAPTLMNATHRBROCK2TP53

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 6 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

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 2988/4885THRB 226/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885LMNA 866/4885THRB 411/4885

“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.