SCHEMBL3972367

SCHEMBL3972367

NN=Cc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
P2RX7 Q99572 1/20 0.41
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.37
PPP1R15A O75807 1/20 0.37
MELK Q14680 1/20 0.37
PPP1R15B Q5SWA1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPFFR1 Q9GZQ6 2/20 0.36

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
SCHEMBL5212895 0.81 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17712821 0.81 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11405216 0.78 CYP1A2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11405215 0.78 CYP1A2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5703211 0.78 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25090393 0.76 P2RX7 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16993699 0.76 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16993700 0.76 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL696649 0.76 CTSS (0.48) P2RX7CTSSCTSKNOTUMKDM4E
SCHEMBL30275282 0.75 L3MBTL1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085550-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2015-07-21 US disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 US disclosed
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY 2009-12-24 US disclosed
US-7544838-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2009-06-09 US disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 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 (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-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 GRIN2D 1769/4885GRIN3B 614/4885GRIN1 748/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 GRIN2D 1769/4885GRIN3B 614/4885GRIN1 748/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 GRIN2D 1769/4885GRIN3B 614/4885GRIN1 748/4885

“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.