SCHEMBL6239679

SCHEMBL6239679

COc1ccc2oc(C(=O)NN)c(OC(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
KDM4E B2RXH2 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TAS1R3 Q7RTX0 7/20 0.51
TAS1R1 Q7RTX1 7/20 0.51
MAOA P21397 1/20 0.48
MAPT P10636 3/20 0.48
ICAM1 P05362 2/20 0.48
SELE P16581 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6240133 0.89 GAA (0.64) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9433674 0.86 ICAM1 (0.56) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9433482 0.86 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6240452 0.85 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL9432926 0.83 NPC1 (0.58) KDM4ESMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL7076857 0.82 GAA (0.56) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10371007 0.79 NPC1 (0.46) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL6242047 0.78 KDM4E (0.56) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5735828 0.75 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL27280522 0.74 KDM4E (0.74) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10

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
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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 (1 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT GAA 45/4885KDM4E 3961/4885SMN1; SMN2 582/4885

“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.