SCHEMBL1339328

SCHEMBL1339328

CCOCC(=O)CC(=O)c1ccc2c(c1)c1cc(-c3ccc(Br)cc3)c(=O)n(C)c1n2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CXCR3 P49682 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ HAO1 Q9UJM8 1/20 0.31
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ GSK3B P49841 2/20 0.30
▸ THRB P10828 1/20 0.30
▸ FPR1 P21462 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ PPARG P37231 1/20 0.30

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
SCHEMBL1338594 0.91 ASAH1 (0.34) KMT2AGAANPC1RAB9AALDH1A1
SCHEMBL1336807 0.85 ALDH1A1 (0.40) KMT2AMEN1ATMCXCR3GAA
SCHEMBL1338964 0.83 GSK3B (0.41) KMT2AMEN1ATMCXCR3GAA
SCHEMBL1338400 0.82 GABRA1 (0.37) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL1339292 0.81 ALDH1A1 (0.34) KMT2AMEN1GAAHPGDRAB9A
SCHEMBL1338146 0.80 MEN1 (0.39) KMT2AMEN1ATMCXCR3GAA
SCHEMBL3135467 0.79 KMT2A (0.39) KMT2AMEN1ATMCXCR3GAA
SCHEMBL3135471 0.77 KMT2A (0.36) KMT2AMEN1ATMCXCR3GAA
SCHEMBL1339068 0.76 MEN1 (0.36) KMT2AMEN1ATMCXCR3GAA
SCHEMBL1339490 0.75 CHRNA7 (0.40) KMT2AMEN1GAANPC1HPGD

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 KMT2A 2956/4885MEN1 2522/4885ATM 2693/4885

“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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