SCHEMBL2384414

SCHEMBL2384414

COc1ccc(-c2cc3c4cc(C)ccc4n(C)c3n(C)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 1/20 0.44
▸ GABRA1 P14867 3/20 0.43
▸ GABRG2 P18507 3/20 0.43
▸ GABRB3 P28472 3/20 0.43
▸ GABRA3 P34903 3/20 0.43
▸ GABRA2 P47869 3/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.41

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
SCHEMBL2382248 0.85 MAPT (0.43) RAB9AALDH1A1MAPTAPAF1PKM
SCHEMBL3867031 0.85 KDM4E (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3867984 0.84 HSD17B10 (0.46) PADI4RAB9AALDH1A1MAPTAPAF1
SCHEMBL2383970 0.83 KDM4E (0.37) PADI4RAB9AALDH1A1MAPTAPAF1
SCHEMBL3445477 0.83 KDM4E (0.40) PADI4RAB9AALDH1A1MAPTAPAF1
SCHEMBL2385054 0.83 MAPT (0.46) RAB9AALDH1A1MAPTAPAF1PKM
SCHEMBL3443882 0.82 KDM4E (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2385861 0.81 KDM4E (0.41) RAB9AALDH1A1MAPTAPAF1PKM
SCHEMBL2384375 0.81 KDM4E (0.41) RAB9AALDH1A1MAPTAPAF1PKM
Hydrochloric Acid SCHEMBL3444526 0.81 KDM4E (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2

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-8012991-B2 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]indole-6-carboxylic acid; gamma-aminobutyric acid modulator; anticarcinogenic, antitumor, antiproliferative agent; amidating a 2-aminoindole with an alpha-substituted-beta-hydroxy-alkyl acrylate SANOFI-AVENTIS (FR) 2011-09-06 — — US disclosed
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2008-09-04 — — US disclosed
US-7390818-B2 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-06-24 — — US disclosed
EP-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 — — EP disclosed
US-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-12-29 — — US disclosed
EP-1556382-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-07-27 — — EP disclosed
WO-2004041817-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-05-21 — — 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 (2 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-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics PNPO, PDXK, PLPBP PADI4 2444/4885GABRA1 1812/4885GABRG2 2796/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD PADI4 3708/4885GABRA1 2339/4885GABRG2 2867/4885

“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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