SCHEMBL1077121

SCHEMBL1077121

COc1ccc(-n2c(-c3c(C)noc3C)c(C#N)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
BRD4 O60885 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RPS6KB1 P23443 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 6/20 0.39
USP2 O75604 5/20 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
SCHEMBL12387083 0.88 MEN1 (0.38) CREBBPMEN1KMT2ARPS6KB1ROCK1
SCHEMBL1076254 0.87 ESR1 (0.40) BRD4MEN1KMT2AMAPTMAPK1
SCHEMBL12387068 0.85 CYP1A2 (0.39) BRD4MEN1KMT2ARPS6KB1ROCK1
SCHEMBL1075850 0.84 BRD4 (0.42) CREBBPBRD4MEN1KMT2ARPS6KB1
SCHEMBL1077949 0.84 RPS6KB1 (0.46) CREBBPBRD4MEN1KMT2ARPS6KB1
SCHEMBL12387085 0.84 BRD4 (0.42) CREBBPBRD4MEN1KMT2ARPS6KB1
SCHEMBL13667779 0.84 BRD4 (0.42) CREBBPBRD4MEN1KMT2ARPS6KB1
SCHEMBL1074368 0.84 BRD4 (0.53) CREBBPBRD4RPS6KB1ROCK1MAPK1
SCHEMBL1077366 0.83 LMNA (0.43) BRD4MEN1KMT2ARPS6KB1ROCK1
SCHEMBL12387059 0.81 BRD4 (0.40) CREBBPBRD4RPS6KB1ROCK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 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-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA CREBBP 1365/4885BRD4 713/4885MEN1 1852/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA CREBBP 1391/4885BRD4 628/4885MEN1 1997/4885

“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.