SCHEMBL2384907

SCHEMBL2384907

COc1ccc(N(C)N(C)C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 4/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ESR2 Q92731 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
MAOB P27338 2/20 0.43
SLC2A1 P11166 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PDK1 Q15118 1/20 0.43

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
SCHEMBL2537515 0.80 ALDH1A1 (0.71) ALDH1A1HTTMAPTNPC1TP53
SCHEMBL6863828 0.78 HPGD (0.48) ALDH1A1HTTMAPTNPC1TP53
SCHEMBL1339099 0.78 NOTUM (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28332018 0.78 POLB (0.55) ALDH1A1HTTMAPTNPC1TP53
SCHEMBL8057301 0.78 CES2 (0.50) ALDH1A1HTTMAPTNPC1TP53
SCHEMBL2383990 0.76 ALDH1A1 (0.46) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL3573277 0.76 TDP1 (0.48) ALDH1A1MAPTNPC1TP53RAB9A
SCHEMBL3278204 0.76 KDM4E (0.56) ALDH1A1HTTMAPTNPC1TP53
SCHEMBL1339025 0.76 APP (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2CES2
SCHEMBL19324918 0.74 CA1 (0.55) ALDH1A1MAPTNPC1TP53RAB9A

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 ALDH1A1 563/4885HTT 3756/4885MAPT 1995/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD ALDH1A1 776/4885HTT 3997/4885MAPT 2131/4885

“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.