SCHEMBL2384508

SCHEMBL2384508

CCOC(=O)c1ccc(NNC(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA12 O43570 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ ESR2 Q92731 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ HPGD P15428 2/20 0.58
▸ RECQL P46063 1/20 0.58
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ RAB9A P51151 6/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ GAA P10253 3/20 0.55
▸ NPC1 O15118 2/20 0.55

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
SCHEMBL14157352 0.88 CA1 (0.62) CA1CA2CA12ESR1CA7
SCHEMBL4289783 0.83 HPGD (0.71) HPGDRECQLTSHRALDH1A1POLB
SCHEMBL5446847 0.83 TSHR (0.73) CA1CA2CA12ESR1CA7
SCHEMBL9011618 0.83 SMN1; SMN2 (0.61) CA1CA2CA12ESR1CA7
SCHEMBL1339156 0.82 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL10759919 0.81 MAPT (0.59) CA1CA2CA12ESR1CA7
SCHEMBL28849404 0.81 SMN1; SMN2 (0.72) CA1CA2CA12ESR1CA7
SCHEMBL12124929 0.80 RAB9A (0.69) CA1CA2CA12ESR1CA7
SCHEMBL22729216 0.80 CA1 (0.53) CA1CA2CA12ESR1CA7
SCHEMBL87450 0.80 CA1 (0.83) CA1CA2CA12ESR1CA7

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-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
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

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 CA1 4885/4885CA2 4865/4885CA12 4883/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD CA1 4884/4885CA2 4879/4885CA12 4870/4885

“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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