SCHEMBL6070967

SCHEMBL6070967

COC(=O)CC(Nc1ccccc1OC)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 1/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CNR2 P34972 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HCRTR1 O43613 2/20 0.40
MPO P05164 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOD2 Q9HC29 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6070968 0.80 MAPT (0.46) L3MBTL1MAPTMEN1KMT2ARAB9A
SCHEMBL6071145 0.75 TACR3 (0.44) ADORA2ACYP1A2NPSR1
SCHEMBL6071098 0.74 RAB9A (0.54) L3MBTL1MAPTMEN1KMT2ARAB9A
SCHEMBL13413859 0.71 IDO1 (0.41) L3MBTL1MEN1KMT2ALMNATDP1
SCHEMBL3306466 0.70 ALDH1A1 (0.49) L3MBTL1MAPTMEN1KMT2ARAB9A
SCHEMBL6070332 0.69 ADORA2A (0.35) ADORA2AMAPTMEN1KMT2ARAB9A
SCHEMBL6071234 0.69 HTR1A (0.41) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6071535 0.68 SMN1; SMN2 (0.43) L3MBTL1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27962281 0.68 ALDH1A1 (0.50) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7841128 0.68 CNR2 (0.49) L3MBTL1ADORA2AMAPTMEN1KMT2A

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 L3MBTL1 4258/4885ADORA2A 796/4885MAPT 1994/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 L3MBTL1 3962/4885ADORA2A 860/4885MAPT 1732/4885

“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.