SCHEMBL6070972

SCHEMBL6070972

COC(=O)CC(N)(c1ccccc1OC)c1cc2ccccc2nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASR P41180 1/20 0.37
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6070971 0.81 MEN1 (0.44) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL6071101 0.73 RAB9A (0.47) MAPTSMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL6071237 0.71 HTR1A (0.41) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL27810414 0.67 GAA (0.46) SMN1; SMN2ALDH1A1POLBGAAMEN1
SCHEMBL6070968 0.67 MAPT (0.46) MAPTSMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL12969936 0.67 TLR8 (0.62) MAPTSMN1; SMN2RAB9ATLR8ALDH1A1
SCHEMBL6070885 0.66 EGFR (0.42) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL27591608 0.66 KMT2A (0.46) MAPTSMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL3221190 0.65 MAPT (0.49) MAPTSMN1; SMN2RAB9ATLR8ALDH1A1
SCHEMBL8882487 0.65 MEN1 (0.49) MAPTSMN1; SMN2RAB9ATLR8ALDH1A1

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 MAPT 1994/4885SMN1; SMN2 2744/4885RAB9A 2650/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 MAPT 1732/4885SMN1; SMN2 3192/4885RAB9A 1958/4885

“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.