SCHEMBL2111782

SCHEMBL2111782

O=c1c2ccccc2c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.46

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
SCHEMBL14933471 0.87 MAPK1 (0.59) MAPK1L3MBTL1NPSR1KMT2AKDM4E
SCHEMBL3427228 0.86 MAPK1 (0.76) MAPK1L3MBTL1NPSR1KMT2AKDM4E
SCHEMBL30600315 0.86 KDM4E (0.67) L3MBTL1KMT2AKDM4EMAPTATM
SCHEMBL348558 0.86 KDM4E (0.67) L3MBTL1KMT2AKDM4EMAPTATM
SCHEMBL30431526 0.86 KDM4E (0.67) L3MBTL1KMT2AKDM4EMAPTATM
SCHEMBL14933557 0.85 MAPK1 (0.57) MAPK1L3MBTL1NPSR1KMT2AKDM4E
SCHEMBL15999702 0.84 MAPK1 (0.55) MAPK1L3MBTL1NPSR1KMT2AKDM4E
SCHEMBL15999703 0.84 MAPK1 (0.55) MAPK1L3MBTL1NPSR1KMT2AKDM4E
SCHEMBL14920822 0.84 MAPK1 (0.55) MAPK1L3MBTL1NPSR1KMT2AKDM4E
SCHEMBL14933500 0.84 MAPK1 (0.55) MAPK1L3MBTL1NPSR1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO 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
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 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 (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 MAPK1 2406/4885L3MBTL1 3962/4885NPSR1 192/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MAPK1 2190/4885L3MBTL1 3608/4885NPSR1 82/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MAPK1 2190/4885L3MBTL1 3608/4885NPSR1 82/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 MAPK1 2190/4885L3MBTL1 3608/4885NPSR1 82/4885

“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.