SCHEMBL1338017

SCHEMBL1338017

CCOCc1cc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)n(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.43
▸ GABRG2 P18507 4/20 0.43
▸ GABRB3 P28472 4/20 0.43
▸ GABRA5 P31644 4/20 0.43
▸ MARS1 P56192 4/20 0.41
▸ SLC16A3 O15427 4/20 0.38
▸ SLC16A1 P53985 4/20 0.38
▸ MCTS1 Q9ULC4 4/20 0.38
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3132819 0.89 SIGMAR1 (0.37) GABRA1GABRG2GABRB3GABRA5MARS1
SCHEMBL1339707 0.89 MARS1 (0.47) GABRA1GABRG2GABRB3GABRA5MARS1
Hydrochloric Acid SCHEMBL1338677 0.88 SIGMAR1 (0.37) GABRA1GABRG2GABRB3GABRA5MARS1
SCHEMBL1338626 0.84 MARS1 (0.49) MARS1ALDH1A1HSD17B10
SCHEMBL1339384 0.84 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5SLC16A3
SCHEMBL1339414 0.83 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5MAPK8
SCHEMBL1339397 0.83 MARS1 (0.39) GABRA1GABRG2GABRB3GABRA5MARS1
SCHEMBL1337046 0.83 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA5MAPK8
SCHEMBL1338722 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5KDM4E
SCHEMBL1339170 0.80 MARS1 (0.38) GABRA1GABRG2GABRB3GABRA5MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 — — US disclosed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 — — US disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — 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-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 GABRA1 1457/4885GABRG2 1617/4885GABRB3 1017/4885

“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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