5-Iodoisatin

5-Iodoisatin

SCHEMBL1482216

O=C1Nc2ccc(I)cc2C1=O.[NaH]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.96
CES1 P23141 5/20 0.96
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CAPN9 O14815 1/20 0.51
CASP3 P42574 1/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
LRRK2 Q5S007 1/20 0.48
APP P05067 2/20 0.47
MAPT P10636 2/20 0.47

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
5-Iodoisatin SCHEMBL75159 0.98 TGM2 (1.00) TGM2CES1MAOAMAOBCA12
5-Iodoisatin SCHEMBL30794223 0.98 TGM2 (1.00) TGM2CES1MAOAMAOBCA12
5-Iodoisatin SCHEMBL28515786 0.96 TGM2 (0.96) TGM2CES1MAOAMAOBCA12
SCHEMBL7791509 0.85 TGM2 (0.77) TGM2CES1LRRK2APPMAPT
SCHEMBL3467211 0.82 CES1 (0.71) TGM2CES1MAOAMAOBCA12
SCHEMBL20682550 0.78 TGM2 (0.67) TGM2CES1MAOAMAOBLRRK2
SCHEMBL1462357 0.76 TGM2 (0.96) TGM2CES1MAOAMAOBCA12
SCHEMBL29657257 0.75 ROS1 (0.67) TGM2CES1MAOAMAOBCA12
SCHEMBL281743 0.75 ROS1 (0.67) TGM2CES1MAOAMAOBCA12
SCHEMBL23817603 0.74 TGM2 (0.61) TGM2CES1ALDH1A1LRRK2APP

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160362394-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES ABBVIE DEUTSCHLAND (DE) 2016-12-15 US disclosed
US-9422264-B2 Carbamate-substituted oxindole derivatives and use thereof for the treatment of vasopressin-dependent diseases AbbVie Deutschland GmbH & Co. KG (DE) 2016-08-23 US disclosed
US-9403796-B2 Amidomethyl-substituted oxindole derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2016-08-02 US disclosed
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBVIE DEUTSCHLAND (DE) 2015-12-10 US 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
US-20140378471-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2014-12-25 US disclosed
US-20140315914-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-23 US disclosed
US-20110077253-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2011-03-31 US disclosed
US-20110065720-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES ABOTT GMBH & CO KG (DE) 2011-03-17 US disclosed
CN-101611028-A The oxindole derivatives that replaces and they are used as the purposes of vasopressin receptor ligands ABBOTT GMBH & CO KG (DE) 2009-12-23 CN disclosed
EP-2114921-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR LIGAND Abbott GmbH & Co. KG (DE) 2009-11-11 EP disclosed
EP-2114923-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-11-11 EP disclosed
EP-2114922-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR MODULATOR Abbott GmbH & Co. KG (DE) 2009-11-11 EP disclosed
WO-2008080971-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR LIGAND ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
WO-2008080970-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR LIGAND ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
WO-2008080973-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO disclosed
WO-2008080972-A1 SUBSTITUTED OXINDOLE DERIVATIVE AND ITS USE AS A VASOPRESSIN RECEPTOR MODULATOR ABBOTT GMBH & CO. KG (DE) 2008-07-10 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 (7 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-20140378471-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A TGM2 3886/4885CES1 2965/4885MAOA 295/4885
US-20160362394-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A TGM2 2408/4885CES1 1846/4885MAOA 1349/4885
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A TGM2 3886/4885CES1 2965/4885MAOA 295/4885
US-20140315914-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A TGM2 2408/4885CES1 1846/4885MAOA 1349/4885
US-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AVPR2, AVPR1B, AVPR1A TGM2 4384/4885CES1 2207/4885MAOA 1159/4885
US-20110077253-A1 AMIDOMETHYL-SUBSTITUTED OXINDOLE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A TGM2 3209/4885CES1 3479/4885MAOA 367/4885
US-20110065720-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A TGM2 2408/4885CES1 1846/4885MAOA 1349/4885

“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.