SCHEMBL4589675

SCHEMBL4589675

O=C1Nc2ccc(Cl)c(Cl)c2C1(Br)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.37
LMNA P02545 3/20 0.37
CES1 P23141 2/20 0.37
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NOTUM Q6P988 1/20 0.35
GALR3 O60755 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GAA P10253 3/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HTR7 P34969 2/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7476921 0.85 PDK2 (0.37) LMNACES1PDK2PDK4GRIN1
SCHEMBL7467988 0.83 MAPT (0.41) PDE7ALMNACES1GALR3KCNH2
SCHEMBL5345525 0.77 AKR1C3 (0.47) PDE7APDK2PDK4GAAMGAM
SCHEMBL4590370 0.76 AKR1B1 (0.36) PDE7ALMNACES1PDK2PDK4
SCHEMBL7467458 0.75 CYP1A2 (0.44) LMNAPDK2PDK4HTR7PGR
SCHEMBL7468833 0.72 AKR1B1 (0.42) LMNAPDK2PDK4GRIN1GRIN2A
SCHEMBL5678933 0.72 KMT2A (0.39) LMNAPDK2PDK4GRIN1GRIN2A
SCHEMBL24690660 0.67 PGR (0.45) PDE7ACES1PDK2PDK4HTR7
SCHEMBL4588849 0.67 KMT2A (0.48) LMNAPDK2PDK4GAAHTR7
SCHEMBL8592825 0.67 PDK2 (0.37) CES1PDK2PDK4GRIN1GRIN2A

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 10 patents. 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-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
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US disclosed
EP-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 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
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 (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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 PDE7A 313/4885LMNA 2099/4885CES1 2598/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A PDE7A 734/4885LMNA 1884/4885CES1 3456/4885

“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.