SCHEMBL4595708

SCHEMBL4595708

CCOc1ccc(OCC)c(C2(Cl)C(=O)Nc3ccc(Cl)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
IDO1 P14902 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
MDM2 Q00987 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CBX7 O95931 2/20 0.38
CDYL Q9Y232 2/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
TP53 P04637 1/20 0.37
PGR P06401 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4590087 0.85 ADCY8 (0.43) MAOBIDO1GAAMAPTCBX7
SCHEMBL4588923 0.81 ADAMTS5 (0.48) MAOBIDO1MDM2ADAMTS5CBX7
SCHEMBL7460367 0.81 MAOB (0.48) MAOBMAPTMDM2TP53PGR
SCHEMBL1465028 0.79 MAOB (0.41) MAOBMAPTADAMTS5CBX7CDYL
SCHEMBL17260266 0.78 AVPR1B (0.42) MAOBMDM2CBX7CDYLPGR
SCHEMBL1590749 0.75 IDO1 (0.41) MAOBIDO1GAAMAPTADAMTS5
SCHEMBL2494490 0.74 KCNMA1 (0.46) IDO1MDM2ADAMTS5CBX7CDYL
SCHEMBL4590048 0.74 MDM2 (0.50) MAOBIDO1MAPTMDM2ADAMTS5
SCHEMBL27529257 0.73 IDO1 (0.49) MAOBIDO1GAAMAPTADAMTS5
SCHEMBL2496619 0.73 KCNQ3 (0.41) IDO1ADAMTS5CBX7CDYLCDYL2

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 4 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

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 MAOB 1625/4885IDO1 2570/4885GAA 4805/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A MAOB 754/4885IDO1 111/4885GAA 4805/4885

“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.