SCHEMBL2113922

SCHEMBL2113922

COc1ccc(N(C(=O)c2ccc(C#N)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
SNCA P37840 1/20 0.47
STAT3 P40763 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 1/20 0.45
CASP1 P29466 1/20 0.45
CNR2 P34972 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2112987 0.94 KDM4E (0.57) KDM4EHPGDCTSSCTSKSNCA
SCHEMBL2112971 0.86 MAOB (0.57) SNCAKMT2APOLBNPC1MEN1
SCHEMBL2113035 0.86 ESR2 (0.48) KDM4EHPGDSNCAALDH1A1MAPT
SCHEMBL2111353 0.84 KDM4E (0.55) KDM4EHPGDKMT2APOLBALDH1A1
SCHEMBL2114039 0.84 MMP3 (0.53) HPGDKMT2AALDH1A1NPC1MEN1
SCHEMBL12648779 0.84 HPGD (0.54) KDM4EHPGDNPC1RAB9AMCHR1
SCHEMBL2112619 0.82 HSD17B2 (0.50) KDM4EHPGDKMT2ANPC1MEN1
SCHEMBL2113520 0.82 KDM4E (0.71) KDM4EHPGDKMT2AALDH1A1NPC1
SCHEMBL2113612 0.81 ALOX5 (0.61) KMT2APOLBALDH1A1CTDSP1NPC1
SCHEMBL2112872 0.81 KDM4E (0.63) KDM4EHPGDKMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 KDM4E 3063/4885HPGD 836/4885CTSS 3133/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 KDM4E 1462/4885HPGD 1070/4885CTSS 3980/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 KDM4E 1462/4885HPGD 1070/4885CTSS 3980/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 KDM4E 1462/4885HPGD 1070/4885CTSS 3980/4885

“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.