SCHEMBL4588841

SCHEMBL4588841

COc1ccc(C2(Cl)C(=O)Nc3ccc(Cl)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.54
HTR6 P50406 3/20 0.48
CBX7 O95931 1/20 0.47
CDYL Q9Y232 1/20 0.47
IDO1 P14902 2/20 0.44
MAOB P27338 1/20 0.43
MDM2 Q00987 5/20 0.42
TP53 P04637 2/20 0.41
ELOVL6 Q9H5J4 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
BRD4 O60885 2/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL4590436 0.89 ADAMTS5 (0.48) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL4590146 0.85 CDYL (0.56) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL4588923 0.83 ADAMTS5 (0.48) ADAMTS5CBX7CDYLIDO1MAOB
SCHEMBL4590048 0.83 MDM2 (0.50) ADAMTS5CBX7CDYLIDO1MAOB
SCHEMBL2498528 0.82 BRD4 (0.57) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL4590061 0.78 CBX7 (0.47) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL1795899 0.77 KMT2A (0.51) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL3964885 0.75 TP53 (0.58) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL4588940 0.75 CBX7 (0.45) ADAMTS5HTR6CBX7CDYLIDO1
SCHEMBL2494490 0.75 KCNMA1 (0.46) ADAMTS5CBX7CDYLIDO1MDM2

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 6 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

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 ADAMTS5 1714/4885HTR6 1003/4885CBX7 4049/4885
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 1357/4885HTR6 154/4885CBX7 3930/4885

“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.