SCHEMBL5952979

SCHEMBL5952979

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 1/20 0.39
MAP2K4 P45985 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
SRC P12931 1/20 0.38
CYP1A2 P05177 1/20 0.38
ELANE P08246 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TNKS2 Q9H2K2 1/20 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
SCHEMBL5952597 0.86 ELANE (0.41) GABRG2GABRB3GABRA5BRD4MAP2K4
SCHEMBL3932624 0.85 MAOB (0.44) TNKS2MEN1KMT2AL3MBTL1
SCHEMBL5953089 0.84 MAPT (0.38) MAPTLMNABRD4MAP2K4ALDH1A1
SCHEMBL14737311 0.83 MAP2K4 (0.41) GABRG2GABRB3GABRA5MAP2K4ALDH1A1
SCHEMBL3925942 0.82 ELANE (0.34) MAPTGABRG2GABRB3GABRA5LMNA
SCHEMBL14737541 0.82 CA12 (0.39) GABRG2GABRB3GABRA5MAP2K4ALDH1A1
SCHEMBL13375172 0.82 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL14739081 0.81 HTR6 (0.46) MAPTGABRG2GABRB3GABRA5MAP2K4
SCHEMBL9952523 0.81 MAP2K4 (0.42) GABRG2GABRB3GABRA5LMNAMAP2K4
SCHEMBL24738080 0.80 GABRG2 (0.45) MAPTGABRG2GABRB3GABRA5LMNA

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 7 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-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 3479/4885GABRG2 860/4885GABRB3 835/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPT 4186/4885GABRG2 1253/4885GABRB3 1262/4885

“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.