SCHEMBL6070971

SCHEMBL6070971

COC(=O)CC(N)(c1ccc2ccccc2n1)c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.41
NOD2 Q9HC29 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
CASR P41180 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SSTR4 P31391 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6070972 0.81 MAPT (0.39) MEN1KMT2ACNR2NOD2NPC1
SCHEMBL6071101 0.74 RAB9A (0.47) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6070329 0.72 GAA (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6071237 0.71 HTR1A (0.41) MEN1KMT2AL3MBTL1PKMCASP3
SCHEMBL27810414 0.70 GAA (0.46) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL28495603 0.66 SSTR4 (0.47) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL28623257 0.64 MGAM (0.47) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL30771873 0.64 MGAM (0.47) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL3533290 0.64 CYP1A2 (0.62) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5160087 0.63 ALDH1A1 (0.58) MEN1KMT2ACNR2L3MBTL1NOD2

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 MEN1 741/4885KMT2A 1196/4885CNR2 190/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 MEN1 844/4885KMT2A 1592/4885CNR2 244/4885

“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.