SCHEMBL2386231

SCHEMBL2386231

COc1ccc(-c2cc3c4cc(C)ccc4[nH]c3n(C)c2=O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 2/20 0.42
▸ CRHR1 P34998 3/20 0.41
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHEK1 O14757 1/20 0.39

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
SCHEMBL2386218 0.89 KDM4E (0.43) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL958804 0.86 F2RL3 (0.46) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL2382846 0.84 HPGD (0.37) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2384546 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL3443977 0.79 ACHE (0.48) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL2383319 0.78 OPRM1 (0.41) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL3570043 0.77 BRD4 (0.43) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL3445172 0.76 KDM4E (0.39) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL2383613 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL3567241 0.75 KDM4E (0.41) ALDH1A1KDM4EHPGDRAB9AMAPT

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 563/4885KDM4E 2053/4885HPGD 72/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD ALDH1A1 776/4885KDM4E 2813/4885HPGD 76/4885

“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