SCHEMBL7116203

SCHEMBL7116203

CCC(C)c1c(O)c2cnccc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 8/20 0.49
▸ PARP1 P09874 2/20 0.46
▸ KDM5B Q9UGL1 2/20 0.43
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ DAO P14920 2/20 0.41
▸ FEN1 P39748 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ ACHE P22303 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTR6 P50406 1/20 0.37

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
SCHEMBL7123033 0.86 PARP1 (0.50) KDM5APARP1KDM5BGRIN2DGRIN3B
SCHEMBL7118635 0.76 GRIN2D (0.53) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7114063 0.76 GSK3B (0.47) PARP1DAOFEN1ALDH1A1MAPT
SCHEMBL7114911 0.74 KDM4C (0.43) KDM5APARP1KDM5B
SCHEMBL13818064 0.71 KDM5A (0.57) KDM5APARP1KDM5BGRIN2DGRIN3B
SCHEMBL31145968 0.71 PARP1 (0.47) KDM5APARP1KDM5BGRIN2DGRIN3B
SCHEMBL1061771 0.71 KDM5A (0.81) KDM5APARP1KDM5BALDH1A1
SCHEMBL13708891 0.70 PARP1 (0.55) KDM5APARP1KDM5BGRIN2DGRIN3B
SCHEMBL31145938 0.68 KDM5A (0.44) KDM5APARP1KDM5BDAOFEN1
SCHEMBL31146052 0.67 PARP1 (0.42) KDM5APARP1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 — — 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-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 KDM5A 2603/4885PARP1 854/4885KDM5B 2287/4885

“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.

Send feedback