SCHEMBL9896459

SCHEMBL9896459

CCC(O)c1cc2ccccc2nc1Oc1ccc2c(nnn2CC(C)(C)C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.33
PPARA Q07869 6/20 0.33
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
TLR8 Q9NR97 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9897281 0.91 GRM2 (0.32) GRM2ALDH1A1GAAMEN1LMNA
SCHEMBL9894581 0.89 NPSR1 (0.32) GRM2ALDH1A1GAAHSD17B10KDM4E
SCHEMBL9895836 0.82 HSD17B10 (0.32) ALDH1A1GAAHSD17B10KDM4E
SCHEMBL9895553 0.81 GRM2 (0.35) GRM2
SCHEMBL9895967 0.81 KDM4E (0.35) GRM2ALDH1A1GAAHSD17B10KDM4E
SCHEMBL9898187 0.81 ALDH1A1 (0.44) GRM2ALDH1A1GAAKDM4EMEN1
SCHEMBL9895685 0.77 GRM2 (0.42) GRM2HSD17B10
SCHEMBL8512873 0.75 GRM2 (0.42) GRM2MEN1LMNAKMT2AL3MBTL1
SCHEMBL9894954 0.74 GRM2 (0.39) GRM2ALDH1A1MEN1LMNAKMT2A
SCHEMBL9894974 0.74 GRM2 (0.34) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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 (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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 PPARG 89/4885PPARA 132/4885GRM2 1/4885

“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.