SCHEMBL2383970

SCHEMBL2383970

Cc1ccc2c(c1)c1cc(-c3ccc(OCC#N)cc3)c(=O)n(C)c1n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH2 P05091 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GSTP1 P09211 1/20 0.34

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
SCHEMBL2384375 0.84 KDM4E (0.41) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL2384414 0.83 PADI4 (0.44) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL2382248 0.78 MAPT (0.43) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL3867984 0.78 HSD17B10 (0.46) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL2385861 0.78 KDM4E (0.41) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL2385054 0.76 MAPT (0.46) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL5739997 0.76 KDM4E (0.41) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL3443882 0.76 KDM4E (0.43) KDM4EMAPTRAB9ATDP1APAF1
Hydrochloric Acid SCHEMBL3444526 0.75 KDM4E (0.42) KDM4EMAPTRAB9ATDP1APAF1
SCHEMBL2385267 0.73 KDM4E (0.43) KDM4EMAPTRAB9ATDP1APAF1

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 KDM4E 2053/4885MAPT 1995/4885RAB9A 2572/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD KDM4E 2813/4885MAPT 2131/4885RAB9A 1985/4885

“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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