SCHEMBL3775352

SCHEMBL3775352

CN1C(=O)C(=O)c2cccc(Cl)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 1/20 0.65
POLB P06746 1/20 0.65
KMT2A Q03164 1/20 0.65
CASP3 P42574 2/20 0.52
CHRM5 P08912 3/20 0.50
CES1 P23141 2/20 0.50
TTR P02766 1/20 0.50
CHRM3 P20309 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH3A1 P30838 2/20 0.43
NSD2 O96028 1/20 0.39
BCHE P06276 1/20 0.39
DAO P14920 1/20 0.39
MAPK14 Q16539 2/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL12536125 0.78 ALDH1A1 (1.00) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL28593612 0.78 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL11200942 0.77 ALDH1A1 (0.65) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL29785238 0.77 ALDH1A1 (0.65) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL6318738 0.77 ALDH1A1 (0.50) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL3772043 0.77 ALDH1A1 (0.65) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL2816698 0.77 ALDH1A1 (0.65) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL3778381 0.77 ALDH1A1 (0.65) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL30291060 0.77 ALDH1A1 (0.65) ALDH1A1MEN1POLBKMT2ACASP3
SCHEMBL28026197 0.77 CHRM5 (0.61) ALDH1A1MEN1KMT2ACHRM5CES1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN claimed
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN disclosed
CN-104557957-B Synthetic method of spiro-oxoindole ethylene oxide derivative 华东师范大学 2017-04-19 CN disclosed
US-8552053-B2 7-substituted indirubin-3′oximes and their applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-10-08 US disclosed
US-20100331327-A1 7-SUBSTITUTED INDIRUBIN-3'OXIMES AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-12-30 US disclosed
EP-1963264-A2 NEW 3 -, 7-SUBSTITUTED INDIRUBINS AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-09-03 EP disclosed
WO-2007099402-A2 NEW 3’-, 7-SUBSTITUTED INDIRUBINS AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-09-07 WO disclosed
EP-0750621-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1999-07-21 EP disclosed
US-5783575-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-07-21 US disclosed
EP-0750621-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-01-02 EP disclosed
US-5536721-A Thieno[2,3-b-indole derivatives and their use for treating central nervous system diseases related to the metabotropic glutamate receptor system NOVO NORDISK A/S (DK) 1996-07-16 US disclosed
WO-1995025110-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-09-21 WO disclosed
US-4020179-A ANTICONVULSANTS RICHARDSON-MERRELL INC. (US) 1977-04-26 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 (1 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-20100331327-A1 7-SUBSTITUTED INDIRUBIN-3'OXIMES AND THEIR APPLICATIONS UGT2B7, CYP3A7, CYP2E1 ALDH1A1 310/4885MEN1 3520/4885POLB 2261/4885

“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.