SCHEMBL4590477

SCHEMBL4590477

COc1ccccc1C1(Cl)C(=O)Nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.47
KMT2A Q03164 1/20 0.45
CES1 P23141 1/20 0.40
CHRM5 P08912 1/20 0.39
ALPL P05186 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ABL1 P00519 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNMA1 Q12791 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
KIF11 P52732 1/20 0.36
CYP3A4 P08684 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL2495753 0.84 KMT2A (0.64) ADAMTS5KMT2ACES1LRRK2ABL1
SCHEMBL27484820 0.81 PGR (0.44) ADAMTS5CES1CHRM5
SCHEMBL5357970 0.80 KMT2A (0.51) ADAMTS5KMT2ALRRK2KCNMA1CYP3A4
SCHEMBL1795899 0.80 KMT2A (0.51) ADAMTS5KMT2AKCNQ3KCNQ2KCNQ4
SCHEMBL4590561 0.80 MGAM (0.40) ADAMTS5KCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL31317648 0.79 KMT2A (0.63) ADAMTS5KMT2A
SCHEMBL1465028 0.78 MAOB (0.41) ADAMTS5KMT2A
SCHEMBL4590043 0.77 KCNQ3 (0.43) KMT2AKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL4590594 0.76 KMT2A (0.49) KMT2AKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL2679504 0.76 KMT2A (0.47) KMT2AALPL

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 15 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-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
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
US-6730695-B2 TREATMENT OF HYPERTENSION, CENTRAL NERVOUS SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 2004-05-04 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
US-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors SANOFI (FR) 2003-06-19 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
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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors AVPR1B, AVPR1A, AVPR2 ADAMTS5 1725/4885KMT2A 4311/4885CES1 3053/4885
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 ADAMTS5 1714/4885KMT2A 4115/4885CES1 2598/4885
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A ADAMTS5 2034/4885KMT2A 4496/4885CES1 2799/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A ADAMTS5 1357/4885KMT2A 3798/4885CES1 3456/4885
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVPR1B, AVPR2, AVPR1A ADAMTS5 1489/4885KMT2A 4048/4885CES1 3461/4885

“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.