SCHEMBL4589545

SCHEMBL4589545

O=C1Nc2ccc(Cl)cc2C1(O)c1ccccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAOB P27338 1/20 0.45
IDO1 P14902 2/20 0.43
PTGER1 P34995 3/20 0.42
SLC6A4 P31645 1/20 0.40
CBX7 O95931 2/20 0.40
CDYL Q9Y232 2/20 0.40
PPIA P62937 1/20 0.40
PGR P06401 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
ZAP70 P43403 1/20 0.40
ALPG P10696 1/20 0.39
PTK2B Q14289 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
SCHEMBL2494879 0.86 KMT2A (0.53) KMT2AMAOBIDO1CBX7CDYL
SCHEMBL4588894 0.85 MAOB (0.48) MAOBIDO1PTGER1SLC6A4PPIA
SCHEMBL1796721 0.84 KMT2A (0.51) KMT2AMAOBIDO1CBX7CDYL
SCHEMBL1464565 0.82 KMT2A (0.72) KMT2AIDO1CBX7CDYLCDYL2
SCHEMBL4484062 0.80 KMT2A (0.43) KMT2AMAOBPTGER1ALPGPTK2B
SCHEMBL4590198 0.79 KMT2A (0.50) KMT2AIDO1CBX7CDYLCDYL2
SCHEMBL2497407 0.76 BRD4 (0.52) KMT2AIDO1CBX7CDYLPGR
SCHEMBL2497474 0.75 BRD4 (0.57) KMT2AIDO1CBX7CDYLCDYL2
SCHEMBL4590131 0.74 KMT2A (0.56) KMT2AIDO1CBX7CDYLPGR
SCHEMBL2493174 0.73 KMT2A (0.55) KMT2AIDO1CBX7CDYLPGR

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 KMT2A 4115/4885MAOB 1625/4885IDO1 2570/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A KMT2A 3798/4885MAOB 754/4885IDO1 111/4885

“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.