SCHEMBL6070968

SCHEMBL6070968

COC(=O)CC(Nc1ccccc1OC)c1cc2ccccc2nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
HCRTR1 O43613 1/20 0.38
FAAH O00519 1/20 0.38
MPO P05164 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6070967 0.80 L3MBTL1 (0.48) MAPTSMN1; SMN2RAB9ANPSR1CYP1A2
SCHEMBL6070885 0.77 EGFR (0.42) MAPTSMN1; SMN2RAB9ANPSR1ALDH1A1
SCHEMBL6071098 0.73 RAB9A (0.54) MAPTSMN1; SMN2RAB9ANPSR1CYP1A2
SCHEMBL13413859 0.73 IDO1 (0.41) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3306466 0.71 ALDH1A1 (0.49) MAPTSMN1; SMN2RAB9ACYP1A2ALDH1A1
SCHEMBL6071234 0.70 HTR1A (0.41) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL3204003 0.69 EGFR (0.53) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7076605 0.67 ALDH1A1 (0.53) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6070972 0.67 MAPT (0.39) MAPTSMN1; SMN2RAB9ANPSR1CYP1A2
SCHEMBL12969936 0.66 TLR8 (0.62) MAPTSMN1; SMN2RAB9AALDH1A1NPC1

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.