SCHEMBL2116015

SCHEMBL2116015

CCOc1nccc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IKBKB O14920 1/20 0.40
CDC7 O00311 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TSHR P16473 2/20 0.40
ESR2 Q92731 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
SCHEMBL9959798 0.79 PARP10 (0.45) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL27890736 0.77 MKNK1 (0.46) MKNK1MKNK2L3MBTL1KDM4ENPC1
SCHEMBL2116017 0.77 MKNK1 (0.45) MKNK1MKNK2L3MBTL1ALDH1A1KDM4E
SCHEMBL5504646 0.77 CYP3A4 (0.49) MKNK1MKNK2L3MBTL1ALDH1A1HPGD
SCHEMBL4724490 0.75 L3MBTL1 (0.58) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL14062131 0.75 CDC7 (0.46) MKNK1MKNK2L3MBTL1KDM4EIKBKB
SCHEMBL23201615 0.72 L3MBTL1 (0.52) L3MBTL1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL28941124 0.72 MAP2K1 (0.41) MKNK1MKNK2L3MBTL1KDM4EIKBKB
SCHEMBL530231 0.72 MKNK1 (0.43) MKNK1MKNK2ALDH1A1HPGDKDM4E
SCHEMBL21626162 0.72 MAP2K1 (0.43) L3MBTL1KDM4EMAPTNPC1RAB9A

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 7 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 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
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
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 MKNK1 2900/4885MKNK2 2456/4885L3MBTL1 3962/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MKNK1 929/4885MKNK2 1137/4885L3MBTL1 3608/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MKNK1 929/4885MKNK2 1137/4885L3MBTL1 3608/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 MKNK1 929/4885MKNK2 1137/4885L3MBTL1 3608/4885

“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.