SCHEMBL4589638

SCHEMBL4589638

Cc1cc(NC(=O)OC(C)(C)C)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP17A1 P05093 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
STAT3 P40763 1/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
PSMB8 P28062 1/20 0.42

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
SCHEMBL6490343 0.88 MEN1 (0.60) CA12CA1CA9NPC1KMT2A
SCHEMBL16303890 0.87 EPHX1 (0.58) CA12CA1CA9NPC1KMT2A
SCHEMBL13197992 0.85 CA12 (0.58) CA12CA1CA9NPC1KMT2A
SCHEMBL19931816 0.85 AURKB (0.52) NPC1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL15600424 0.85 NPC1 (0.42) CA12CA1CA9NPC1KMT2A
SCHEMBL3789950 0.84 CA12 (0.48) CA12CA1CA9KMT2AMEN1
SCHEMBL30064575 0.84 CA12 (0.48) CA12CA1CA9KMT2AMEN1
SCHEMBL5744348 0.84 CA12 (0.48) CA12CA1CA9KMT2AMEN1
SCHEMBL2091861 0.83 NPC1 (0.55) NPC1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL12228592 0.83 AR (0.49) CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168833-B2 Schwartz reagents: methods of in situ generation and use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-05-01 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
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-7119086-B2 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2006-10-10 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
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
US-6730695-B2 TREATMENT OF HYPERTENSION, CENTRAL NERVOUS SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 2004-05-04 US disclosed
US-6624164-B2 Solvates and/or hydrates exhibiting affinity for the arginine-vasopressin V1b receptors or for both V1b and V1a 1a receptors. SANOFI-SYNTHELABO (FR) 2003-09-23 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-20030139413-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SANOFI-AVENTIS (FR) 2003-07-24 US disclosed
US-6596732-B2 Their solvates and/or hydrates exhibiting an affinity and a selectivity for arginine-vasopressin V1b receptors or for both V1b and V1a receptors. hormone known for its antidiuretic effect and its effect in regulating arterial pressure. SANOFI-SYNTHELABO (FR) 2003-07-22 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
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-06-12 US 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 (9 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-20030139413-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION CONTAINING THEM AVPR2, AVPR1B, AVPR1A CA12 3286/4885CA1 1186/4885CA9 2964/4885
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 CA12 1598/4885CA1 384/4885CA9 1492/4885
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 CA12 2581/4885CA1 941/4885CA9 2286/4885
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same AVPR2, AVPR1B, AVPR1A CA12 3577/4885CA1 1069/4885CA9 2518/4885
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A CA12 3022/4885CA1 1003/4885CA9 2475/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A CA12 3047/4885CA1 1542/4885CA9 2952/4885
US-20070004703-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVPR1B, AVPR2, AVPR1A CA12 1594/4885CA1 684/4885CA9 1523/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR CA12 4701/4885CA1 3796/4885CA9 3925/4885
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use AVPR2, AVPR1A, AVPR1B CA12 1077/4885CA1 457/4885CA9 2599/4885

“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.