SCHEMBL6979500

SCHEMBL6979500

CC(C)c1nc2cc(F)c(F)cc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.45
TRPV1 Q8NER1 5/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GSK3B P49841 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL26451280 0.81 KDM4E (0.44) PARGKDM4ELMNAHSD17B10MAPT
SCHEMBL6975873 0.81 PARP1 (0.52) PARGKDM4EROCK2
SCHEMBL4368274 0.77 KDM4E (0.62) TRPV1KDM4ELMNAHSD17B10MAPT
SCHEMBL26438902 0.75 PARG (0.53) PARGKDM4ELMNAHSD17B10MAPT
SCHEMBL30176844 0.75 PARG (0.53) PARGKDM4ELMNAHSD17B10MAPT
SCHEMBL23775859 0.75 KDM4E (0.45) PARGTRPV1KDM4ELMNAHSD17B10
SCHEMBL26438900 0.75 PARP1 (0.49) PARGKDM4ELMNAHSD17B10MAPT
SCHEMBL4107335 0.75 HSD17B10 (0.61) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL17786594 0.74 PARG (0.52) PARGTRPV1KDM4ELMNAHSD17B10
SCHEMBL6978855 0.74 KDM4E (0.52) PARGTRPV1KDM4EROCK2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 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 (1 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 PARG 4034/4885TRPV1 2684/4885KDM4E 3970/4885

“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.