SCHEMBL6070375

SCHEMBL6070375

COC(=O)C=Cc1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
KMT2A Q03164 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
RAB9A P51151 4/20 0.69
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
FDPS P14324 1/20 0.47
TTR P02766 1/20 0.47
APP P05067 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 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
SCHEMBL6070374 1.00 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL21001881 0.88 KDM4E (0.79) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL372011 0.86 KDM4E (0.76) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL372012 0.86 KDM4E (0.76) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL30487516 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL11547586 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6070393 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6070391 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL29733054 0.85 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6421753 0.84 RAB9A (0.75) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1257886-C Dehydroamino acids compounds HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
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
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 CN 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
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US 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 KDM4E 2320/4885KMT2A 1196/4885SMN1; SMN2 2744/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 KDM4E 2827/4885KMT2A 1592/4885SMN1; SMN2 3192/4885

“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.