SCHEMBL4480940

SCHEMBL4480940

O=c1cc[nH]cc1-c1c[nH]ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CCR8 P51685 1/20 0.35
S100A9 P06702 1/20 0.32
CAPN1 P07384 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL11055567 0.81 ALDH1A1 (0.45) KMT2AALDH1A1CHRNB4CHRNA3
SCHEMBL31748652 0.81 AURKA (0.41) KMT2AALDH1A1CHRNB4CHRNA3IDO1
SCHEMBL8165345 0.78 ESR1 (0.39) KMT2AALDH1A1
SCHEMBL18031353 0.78 ALDH1A1 (0.38) KMT2AALDH1A1
SCHEMBL31747917 0.78 MAPT (0.44) KMT2AALDH1A1
SCHEMBL31748352 0.76 ALDH1A1 (0.37) KMT2AALDH1A1CHRNB4CHRNA3
SCHEMBL6192864 0.76 HDAC4 (0.38) KMT2AALDH1A1CHRNB4CHRNA3IDO1
SCHEMBL31747886 0.75 AKT1 (0.42) KMT2AALDH1A1
SCHEMBL31747957 0.75 NOTUM (0.46) KMT2AALDH1A1CHRNB4CHRNA3
SCHEMBL31747993 0.73 ALDH1A1 (0.50) KMT2AALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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 (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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP KMT2A 3141/4885ALDH1A1 287/4885CHRNB4 3409/4885

“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.