SCHEMBL5953089

SCHEMBL5953089

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.38
MAP2K4 P45985 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SRC P12931 1/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
ELANE P08246 3/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5951228 0.87 MAP2K4 (0.39) BRD4MAP2K4ALDH1A1KDM4EELANE
SCHEMBL6282211 0.85 SRC (0.37) MAPTLMNABRD4MAP2K4ALDH1A1
SCHEMBL5952166 0.85 BRD4 (0.37) MAPTLMNABRD4MAP2K4ALDH1A1
SCHEMBL6282207 0.85 SRC (0.37) MAPTLMNABRD4MAP2K4ALDH1A1
SCHEMBL5952161 0.85 BRD4 (0.37) MAPTLMNABRD4MAP2K4ALDH1A1
SCHEMBL5952979 0.84 MAPT (0.39) MAPTLMNABRD4MAP2K4ALDH1A1
SCHEMBL13375156 0.81 MAP2K4 (0.39) MAP2K4GPR119
SCHEMBL1141277 0.81 GABRG2 (0.48) MAP2K4
SCHEMBL671826 0.81 MAP2K4 (0.42) BRD4MAP2K4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29443983 0.78 MAP2K4 (0.43) MAP2K4ALDH1A1HPGDKDM4EELANE

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
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 MAPT 3479/4885LMNA 1504/4885BRD4 605/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPT 4186/4885LMNA 1530/4885BRD4 716/4885

“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.