SCHEMBL3535656

SCHEMBL3535656

CC1(C)Cc2nc(NC(=N)N)sc2C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11361298 0.79 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3534305 0.74 TSHR (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13314771 0.72 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3534685 0.72 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3537276 0.71 PDK1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
Formic Acid SCHEMBL3541204 0.69 TSHR (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3542167 0.68 TSHR (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13314863 0.68 TSHR (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3532844 0.63 RAB9A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3537408 0.63 TSHR (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10

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-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

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.