SCHEMBL1339408

SCHEMBL1339408

CC(C)CC(=O)OCc1nc(-c2ccc3[nH]c4c(cc(-c5ccc(Cl)cc5Cl)c(=O)n4C)c3c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PARP1 P09874 8/20 0.39
▸ HPSE Q9Y251 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ EIF4E P06730 1/20 0.35
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1338602 0.88 RAB9A (0.54) NPC1RAB9ATDP1L3MBTL1PARP1
SCHEMBL1338628 0.85 HPSE (0.39) NPC1RAB9APARP1HPSEKDM4E
SCHEMBL1338065 0.80 PARP1 (0.41) NPC1RAB9APARP1MAPTKDM4E
SCHEMBL1336854 0.80 PARP1 (0.42) NPC1RAB9AL3MBTL1PARP1MAPT
SCHEMBL1339111 0.78 RAB9A (0.44) NPC1RAB9ATDP1L3MBTL1PARP1
SCHEMBL1336992 0.74 RAB9A (0.55) NPC1RAB9ATDP1L3MBTL1PARP1
SCHEMBL1339515 0.73 GFER (0.43) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1338675 0.73 CNR1 (0.37) CNR1CNR2
SCHEMBL1338157 0.73 NPC1 (0.40) NPC1RAB9ATDP1L3MBTL1PARP1
SCHEMBL1339448 0.72 SHMT1 (0.38) NPC1RAB9AL3MBTL1KDM4EEIF4E

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 4 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
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 NPC1 428/4885RAB9A 2067/4885TDP1 1630/4885

“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.

Send feedback