SCHEMBL2592065

SCHEMBL2592065

COc1ccc(-n2cc(Cl)c3cc(OC)cc(C#N)c3c2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.75
ESRRA P11474 4/20 0.75
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ESR1 P03372 3/20 0.45
TP53 P04637 1/20 0.44
MAOA P21397 1/20 0.40
EGFR P00533 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL14924075 0.87 ESR2 (0.58) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL3048562 0.86 ESR2 (1.00) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL14916523 0.79 ESRRA (0.66) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL3058904 0.77 ESR2 (0.62) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL2582077 0.77 ESR2 (0.73) ESR2ESRRAMEN1KMT2AALDH1A1
SCHEMBL13086930 0.77 ESR2 (0.82) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL2588204 0.76 ESRRA (0.61) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL13948740 0.76 ESR2 (0.81) ESR2ESRRAMEN1KMT2AL3MBTL1
SCHEMBL2587177 0.76 ESR2 (0.45) ESR2ESRRAMEN1KMT2AALDH1A1
SCHEMBL14013202 0.76 ESR2 (0.62) ESR2ESRRAMEN1KMT2AL3MBTL1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US claimed
EP-2647376-A1 Nuclear receptor binding agents Gtx, Inc. (US) 2013-10-09 EP claimed
EP-2106212-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, Inc. (US) 2009-10-07 EP claimed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US claimed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 WO claimed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 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 (3 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA ESR2 4/4885ESRRA 3/4885MEN1 4759/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 ESR2 22/4885ESRRA 4/4885MEN1 3769/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESR2 16/4885ESRRA 11/4885MEN1 3741/4885

“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.