SCHEMBL6979552

SCHEMBL6979552

CC(C)c1nc2c(Br)cc(Br)cc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
EGFR P00533 1/20 0.43
PIM1 P11309 3/20 0.43
CSNK2B P67870 3/20 0.43
CDC7 O00311 1/20 0.43
CSNK2A1 P68400 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CSNK2A2 P19784 2/20 0.37

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
SCHEMBL6983668 0.79 PARP1 (0.56) PPARGNCOR2RXFP1EGFRPIM1
SCHEMBL13542744 0.77 LMNA (0.41) RXFP1EGFRHTTMAPTRAB9A
SCHEMBL22101792 0.72 PIM1 (0.38) PPARGNCOR2RXFP1PIM1CSNK2B
SCHEMBL27961710 0.70 TNKS (0.55) RXFP1MAPTRAB9AMEN1KMT2A
SCHEMBL30289793 0.69 MAPT (0.55) PPARGNCOR2RXFP1EGFRHTT
SCHEMBL14262961 0.69 RAB9A (0.60) PPARGNCOR2RXFP1EGFRPIM1
SCHEMBL30176866 0.67 PARP1 (0.66) PARP1PARP2
SCHEMBL6979504 0.67 PARP1 (0.66) PARP1PARP2
SCHEMBL7463262 0.67 GSK3B (0.32) PIM1CSNK2BCDC7CSNK2A1MAPK1
SCHEMBL22823898 0.67 PPARG (0.47) PPARGNCOR2RXFP1EGFRPIM1

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 3 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
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 PPARG 747/4885NCOR2 2165/4885RXFP1 4661/4885

“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.