SCHEMBL5866760

SCHEMBL5866760

COc1ccc2oc(/C(=N/c3ccccc3)NO)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.50
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
TAS1R3 Q7RTX0 6/20 0.47
TAS1R1 Q7RTX1 6/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
GPR55 Q9Y2T6 1/20 0.45
IDO1 P14902 2/20 0.45

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
SCHEMBL5866761 1.00 BCAT1 (0.50) BCAT1MAPTKDM4EALDH1A1MAPK1
SCHEMBL5866857 0.87 IDO1 (0.58) BCAT1MAPTTAS1R3TAS1R1HDAC3
SCHEMBL5867063 0.81 IDO1 (0.52) MAPTALDH1A1MAPK1IDO1NPC1
SCHEMBL5867064 0.81 IDO1 (0.52) MAPTALDH1A1MAPK1IDO1NPC1
SCHEMBL5866930 0.81 IDO1 (0.55) BCAT1MAPTKDM4EALDH1A1HDAC3
SCHEMBL5866931 0.81 IDO1 (0.55) BCAT1MAPTKDM4EALDH1A1HDAC3
SCHEMBL5866763 0.78 MAOB (0.56) BCAT1MAPTKDM4EALDH1A1MAPK1
SCHEMBL5867015 0.76 ALDH1A1 (0.57) MAPTALDH1A1IDO1MAOBNPC1
SCHEMBL5867012 0.76 ALDH1A1 (0.57) MAPTALDH1A1IDO1MAOBNPC1
SCHEMBL8253528 0.72 TAS1R3 (0.55) BCAT1KDM4EALDH1A1TAS1R3TAS1R1

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-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 US disclosed
US-6780858-B2 Antibacterial agents TULARIK INC. 2004-08-24 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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 BCAT1 48/4885MAPT 3987/4885KDM4E 4648/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP BCAT1 346/4885MAPT 4113/4885KDM4E 4511/4885

“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.