SCHEMBL5866930

SCHEMBL5866930

ON/C(=N\c1ccccc1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.55
BCAT1 P54687 1/20 0.47
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL5866931 1.00 IDO1 (0.55) IDO1BCAT1HDAC3HDAC4HDAC1
SCHEMBL5866921 0.91 IDO1 (0.62) IDO1BCAT1HDAC3HDAC4HDAC1
SCHEMBL5867064 0.84 IDO1 (0.52) IDO1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5867063 0.84 IDO1 (0.52) IDO1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5866760 0.81 BCAT1 (0.50) IDO1BCAT1HDAC3HDAC4HDAC1
SCHEMBL5866761 0.81 BCAT1 (0.50) IDO1BCAT1HDAC3HDAC4HDAC1
SCHEMBL5867012 0.79 ALDH1A1 (0.57) IDO1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5867015 0.79 ALDH1A1 (0.57) IDO1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5866857 0.78 IDO1 (0.58) IDO1BCAT1HDAC3HDAC4HDAC1
SCHEMBL5866771 0.77 IDO1 (0.56) IDO1KMT2A

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 IDO1 3464/4885BCAT1 48/4885HDAC3 3882/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP IDO1 3821/4885BCAT1 346/4885HDAC3 3004/4885

“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.