SCHEMBL3534831

SCHEMBL3534831

C=CCNC(=O)C1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 7/20 0.46
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 6/20 0.39
TP53 P04637 4/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.37
THRB P10828 1/20 0.37
PDK1 Q15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.36
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13314811 1.00 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
Formic Acid SCHEMBL3533668 0.97 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL13314816 0.84 RAB9A (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3533425 0.84 RAB9A (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13314812 0.81 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3538338 0.81 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3537545 0.81 PDK1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
Formic Acid SCHEMBL3603162 0.80 RAB9A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13314817 0.80 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3535106 0.80 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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 RAB9A 4051/4885SMN1; SMN2 399/4885NPC1 3023/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 RAB9A 3671/4885SMN1; SMN2 1337/4885NPC1 1533/4885

“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.