SCHEMBL6071014

SCHEMBL6071014

COC(=O)/C=C/c1cc2ccccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HCAR2 Q8TDS4 1/20 0.54
EGFR P00533 1/20 0.50
PDE4B Q07343 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6071017 1.00 ALOX5 (0.60) ALOX5KDM4EKMT2ASMN1; SMN2HCAR2
SCHEMBL6958095 0.82 ALOX5 (0.65) ALOX5KDM4EKMT2ASMN1; SMN2HCAR2
SCHEMBL6958102 0.82 ALOX5 (0.65) ALOX5KDM4EKMT2ASMN1; SMN2HCAR2
SCHEMBL20513109 0.80 ALOX5 (0.62) ALOX5KDM4EKMT2ASMN1; SMN2EGFR
SCHEMBL20513452 0.80 ALOX5 (0.64) ALOX5KDM4EKMT2ASMN1; SMN2HCAR2
SCHEMBL20513111 0.80 ALOX5 (0.62) ALOX5KDM4EKMT2ASMN1; SMN2EGFR
SCHEMBL20513135 0.80 ALOX5 (0.64) ALOX5KDM4EKMT2ASMN1; SMN2HCAR2
SCHEMBL20513133 0.79 ALOX5 (0.81) ALOX5KDM4EKMT2AHCAR2EGFR
SCHEMBL20513134 0.79 ALOX5 (0.81) ALOX5KDM4EKMT2AHCAR2EGFR
SCHEMBL31180215 0.78 ALDH1A1 (0.46) KDM4EKMT2ASMN1; SMN2EGFRPDE4B

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 ALOX5 241/4885KDM4E 2320/4885KMT2A 1196/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 ALOX5 336/4885KDM4E 2827/4885KMT2A 1592/4885

“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.