SCHEMBL6705309

SCHEMBL6705309

CCOC(=O)c1nc2cc(C)c(C)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44

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
SCHEMBL9705717 0.86 SIRT2 (0.44) ALDH1A1SMN1; SMN2POLBLMNAGRIN2D
SCHEMBL11349805 0.86 LMNA (0.43) ALDH1A1POLBLMNAGRIN2DGRIN3B
SCHEMBL9703575 0.86 GRIN2D (0.63) LMNAGRIN2DGRIN3BGRIK1GRIA1
SCHEMBL9704461 0.86 LMNA (0.43) ALDH1A1POLBLMNAGRIN2DGRIN3B
SCHEMBL6602465 0.85 CHEK1 (0.53)
SCHEMBL9703959 0.85 KMT2A (0.54) ALDH1A1SMN1; SMN2POLBLMNAMAPT
SCHEMBL6377630 0.83 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19SMN1; SMN2POLB
SCHEMBL6375213 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19SMN1; SMN2POLB
SCHEMBL11258206 0.82 GRIN2D (0.51) LMNAGRIN2DGRIN3BGRIK1GRIA1
SCHEMBL9704323 0.82 GAA (0.53) ALDH1A1SMN1; SMN2POLBLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 US disclosed
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO 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-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds NQO2, NQO1, CYP2C8 ALDH1A1 882/4885CYP1A2 22/4885CYP2C19 309/4885

“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.