SCHEMBL1685959

SCHEMBL1685959

Cn1c(=O)cc(OC=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.57
KDM4E B2RXH2 1/20 0.56
NQO2 P16083 1/20 0.56
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
BRD4 O60885 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 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
SCHEMBL30783436 0.81 KCNA3 (0.61) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL11379787 0.81 KCNA3 (0.61) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL11375444 0.77 KCNA3 (0.69) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL29206051 0.76 KCNA3 (0.56) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL1685941 0.76 KCNA3 (0.37) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL11389662 0.75 KCNA3 (0.74) KCNA3SMN1; SMN2ALDH1A1HPGDBRD4
SCHEMBL3971661 0.75 ALDH1A1 (0.56) ALDH1A1LMNARAB9A
SCHEMBL30807999 0.75 KDM4E (0.66) KCNA3KDM4ENQO2HSD17B10ALDH1A1
SCHEMBL18026627 0.74 KCNA3 (0.64) KCNA3KDM4ENQO2HSD17B10SMN1; SMN2
SCHEMBL11385254 0.74 KCNA3 (0.77) KCNA3SMN1; SMN2ALDH1A1HPGDBRD4

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-20120009226-A1 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2012-01-12 US claimed
US-20120009226-A1 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2012-01-12 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-20120009226-A1 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TLR7, MYD88, PDE7A KCNA3 4582/4885KDM4E 422/4885NQO2 413/4885

“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.