SCHEMBL6780694

SCHEMBL6780694

CCOC(=O)C(=O)N1CCCc2c1ccc1[nH]c(=O)c(=O)[nH]c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL8809241 0.82 GRIA1 (0.45) KDM4ESMN1; SMN2HSD17B10GRIA1GRIA2
SCHEMBL6785941 0.73 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9214372 0.70 SMN1; SMN2 (0.68) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL8904589 0.64 ALDH1A1 (0.65) SMN1; SMN2MAPTL3MBTL1MEN1NPC1
SCHEMBL8904564 0.63 TUBB4A (0.52) KDM4ESMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL6790921 0.62 ALDH1A1 (0.38) KDM4ESMN1; SMN2HSD17B10L3MBTL1NPC1
SCHEMBL1459044 0.62 ALDH1A1 (0.61) KDM4ESMN1; SMN2MAPTALOX15HSD17B10
SCHEMBL9091481 0.60 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL27155516 0.60 KDM4E (0.49) KDM4EPARP1
SCHEMBL25093564 0.59 PARP1 (0.60) KDM4ESMN1; SMN2MAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 — — US claimed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 — — EP claimed
US-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 — — US disclosed
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 — — US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 — — EP disclosed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 — — EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 — — 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 KDM4E 3236/4885SMN1; SMN2 2471/4885MAPT 4482/4885

“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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