SCHEMBL17260271

SCHEMBL17260271

N#Cc1ccc2c(c1)NC(=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.55
TGM2 P21980 6/20 0.53
MAOA P21397 6/20 0.50
MAOB P27338 6/20 0.50
CHEK1 O14757 1/20 0.50
PDPK1 O15530 1/20 0.43
LRRK2 Q5S007 1/20 0.42
CASP3 P42574 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL2498450 0.85 TGM2 (0.55) CES1TGM2MAOAMAOBPDPK1
SCHEMBL30639075 0.85 TGM2 (0.55) CES1TGM2MAOAMAOBPDPK1
SCHEMBL21708144 0.85 CHEK1 (0.43) CES1TGM2MAOAMAOBCHEK1
Hydrochloric Acid SCHEMBL11430847 0.84 TGM2 (0.53) CES1TGM2MAOAMAOBPDPK1
SCHEMBL24311515 0.82 CHEK1 (0.48) CES1TGM2CHEK1PDPK1LRRK2
SCHEMBL4855393 0.75 CHEK1 (0.60) CES1TGM2CHEK1PDPK1
SCHEMBL2809485 0.75 GRM5 (0.59) MAOAMAOBCHEK1PDPK1CASP3
SCHEMBL2258909 0.73 GSK3B (0.42) MAOAMAOBCHEK1
SCHEMBL30398896 0.72 CES1 (0.62) CES1TGM2MAOAMAOBLRRK2
SCHEMBL4192180 0.72 CES1 (0.62) CES1TGM2MAOAMAOBLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11545633-B2 3,7-bis(2-oxoindolin-3-ylidene)benzo[1,2-b:4,5-b′]difuran-2,6-dione dicyanide-based materials and uses thereof in organic electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2023-01-03 US disclosed
EP-3765457-A1 3,7-BIS(2-OXOINDOLIN-3-YLIDENE)BENZO[1,2-B:4,5-B']DIFURAN-2,6-DIONE DICYANIDE-BASED MATERIALS AND USES THEREOF IN ORGANIC ELECTRONIC DEVICES National Research Council of Canada (CA) 2021-01-20 EP disclosed
US-20210013424-A1 3,7-BIS(2-OXOINDOLIN-3-YLIDENE)BENZO[1,2-B:4,5-B']DIFURAN-2,6-DIONE DICYANIDE-BASED MATERIALS AND USES THEREOF IN ORGANIC ELECTRONIC DEVICES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2021-01-14 US disclosed
WO-2019175804-A1 3,7-BIS(2-OXOINDOLIN-3-YLIDENE)BENZO[1,2-B:4,5-B']DIFURAN-2,6-DIONE DICYANIDE-BASED MATERIALS AND USES THEREOF IN ORGANIC ELECTRONIC DEVICES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2019-09-19 WO disclosed
US-9688678-B2 Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-27 US disclosed
EP-3143024-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-22 EP disclosed
US-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-11-19 US disclosed
WO-2015173393-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-11-19 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 (3 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-20210013424-A1 3,7-BIS(2-OXOINDOLIN-3-YLIDENE)BENZO[1,2-B:4,5-B']DIFURAN-2,6-DIONE DICYANIDE-BASED MATERIALS AND USES THEREOF IN ORGANIC ELECTRONIC DEVICES TDO2, SCO2, DBF4 CES1 4806/4885TGM2 4212/4885MAOA 2530/4885
US-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AVPR2, AVPR1B, AVPR1A CES1 2207/4885TGM2 4384/4885MAOA 1159/4885
US-11545633-B2 3,7-bis(2-oxoindolin-3-ylidene)benzo[1,2-b:4,5-b′]difuran-2,6-dione dicyanide-based materials and uses thereof in organic electronic devices SCO2, TDO2, DBF4 CES1 4807/4885TGM2 4215/4885MAOA 2568/4885

“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.