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
SCHEMBL9704461 0.86 LMNA (0.43) ALDH1A1POLBLMNAGRIN2DGRIN3B
SCHEMBL11349805 0.86 LMNA (0.43) ALDH1A1POLBLMNAGRIN2DGRIN3B
SCHEMBL9703575 0.86 GRIN2D (0.63) LMNAGRIN2DGRIN3BGRIK1GRIA1
SCHEMBL9705717 0.86 SIRT2 (0.44) ALDH1A1SMN1; SMN2POLBLMNAGRIN2D
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.

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