SCHEMBL5952166

SCHEMBL5952166

CCOc1ccc2c(c1)c(C=CC(=O)OC)nn2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
SRC P12931 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 2/20 0.34
ELANE P08246 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5952161 1.00 BRD4 (0.37) BRD4SRCMAP2K4MAPTLMNA
SCHEMBL6282211 0.92 SRC (0.37) BRD4SRCMAP2K4MAPTLMNA
SCHEMBL6282207 0.92 SRC (0.37) BRD4SRCMAP2K4MAPTLMNA
SCHEMBL5952029 0.90 PDE4B (0.40) BRD4MAP2K4MAPTELANEALDH1A1
SCHEMBL5952034 0.90 PDE4B (0.40) BRD4MAP2K4MAPTELANEALDH1A1
SCHEMBL5953089 0.85 MAPT (0.38) BRD4SRCMAP2K4MAPTLMNA
SCHEMBL16791413 0.81 MAP2K4 (0.39) MAP2K4ELANEALDH1A1SMN1; SMN2NR1H4
SCHEMBL3018454 0.80 ELANE (0.45) BRD4MAP2K4MAPTLMNAELANE
SCHEMBL2777480 0.80 ELANE (0.45) BRD4MAP2K4MAPTLMNAELANE
SCHEMBL5952979 0.79 MAPT (0.39) BRD4SRCMAP2K4MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 BRD4 605/4885SRC 405/4885MAP2K4 252/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A BRD4 716/4885SRC 571/4885MAP2K4 376/4885

“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.