SCHEMBL2116016

SCHEMBL2116016

CCOc1cnccc1C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.64
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
RAB9A P51151 2/20 0.57
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
SGMS2 Q8NHU3 2/20 0.54
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 3/20 0.52
NPC1 O15118 2/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL5504642 0.83 MEN1 (0.83) RXFP1KMT2AMEN1RAB9AKCNK3
SCHEMBL6778380 0.83 SGMS2 (0.76) RXFP1KCNK3KCNK9SGMS2HSD17B10
SCHEMBL7632984 0.81 ALDH1A1 (0.71) KMT2AMEN1RAB9ASGMS2HSD17B10
SCHEMBL31261706 0.80 SGMS2 (0.84) SGMS2
SCHEMBL21056814 0.79 KDM4C (0.50) KMT2AMEN1HSD17B10MAPTSMN1; SMN2
SCHEMBL15528462 0.78 RXFP1 (1.00) RXFP1KMT2AMEN1RAB9AMAPK1
SCHEMBL15528384 0.78 RXFP1 (0.77) RXFP1KMT2AMEN1SGMS2
SCHEMBL13322124 0.77 TYK2 (0.67) KMT2AMEN1RAB9AKCNK3KCNK9
SCHEMBL15528546 0.76 RXFP1 (0.64) RXFP1KMT2AMEN1KCNK3KCNK9
SCHEMBL17551879 0.76 SGMS2 (0.83) SGMS2

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 RXFP1 171/4885KMT2A 2272/4885MEN1 3937/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 RXFP1 141/4885KMT2A 1506/4885MEN1 1408/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 RXFP1 141/4885KMT2A 1506/4885MEN1 1408/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 RXFP1 141/4885KMT2A 1506/4885MEN1 1408/4885

“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.