SCHEMBL4590370

SCHEMBL4590370

O=C1Nc2cc(Cl)c(Cl)cc2C1(Br)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
CES1 P23141 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
PDE7A Q13946 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.33
AKR1C3 P42330 1/20 0.33
HTR6 P50406 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7468833 0.88 AKR1B1 (0.42) AKR1B1PDK2PDK4GRIN1GRIN2A
SCHEMBL5678933 0.88 KMT2A (0.39) AKR1B1PDK2PDK4GRIN1GRIN2A
SCHEMBL5345525 0.84 AKR1C3 (0.47) AKR1B1PDK2PDK4PDE7AAKR1C3
SCHEMBL7468698 0.84 HTR6 (0.41) AKR1B1CES1PDE7ALMNAKDM4E
SCHEMBL7467458 0.82 CYP1A2 (0.44) AKR1B1PDK2PDK4LMNAALDH1A1
SCHEMBL125776 0.77 GHSR (0.43) AKR1B1CES1PDE7AHTR6
SCHEMBL4589675 0.76 PDE7A (0.37) CES1PDK2PDK4PDE7AGRIN1
SCHEMBL7476921 0.74 PDK2 (0.37) AKR1B1CES1PDK2PDK4GRIN1
SCHEMBL4590489 0.72 IDO1 (0.34) AKR1B1PDK2GRIN1GRIN2AAKR1C3
SCHEMBL4590046 0.70 MGAM (0.44) AKR1B1PDE7ALMNAALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
US-7297692-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2007-11-20 US disclosed
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-01-04 US disclosed
US-7129240-B2 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2006-10-31 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
EP-1296976-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2005-01-26 EP disclosed
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI (FR) 2004-10-21 US disclosed
EP-1255751-B1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
EP-1259505-B1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed
EP-1259505-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-11-27 EP disclosed
EP-1255751-A2 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2002-11-13 EP disclosed
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 WO disclosed
WO-2001064668-A2 1,3-DIHYDRO-2H-INDOL-2-ONE, AND THEIR USE AS V1B OR BOTH V1B AND V1A ARGININE-VASOPRESSIN LIGAND RECEPTORS SANOFI-SYNTHELABO (FR) 2001-09-07 WO disclosed
WO-2001055130-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2001-08-02 WO disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 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-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A AKR1B1 249/4885CES1 2799/4885PDK2 1162/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A AKR1B1 199/4885CES1 3456/4885PDK2 1674/4885
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVPR1B, AVPR2, AVPR1A AKR1B1 215/4885CES1 3461/4885PDK2 1575/4885

“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.