SCHEMBL14730729

SCHEMBL14730729

COC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
HPGD P15428 3/20 0.38
TLR8 Q9NR97 5/20 0.38
TLR7 Q9NYK1 5/20 0.38
TLR9 Q9NR96 1/20 0.37
POLB P06746 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
SCHEMBL14730732 0.89 KDM4E (0.43) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL14730800 0.84 PARP1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14730846 0.83 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL14730798 0.80 RAB9A (0.44) MAPKAPK2TLR8TLR7TLR9
SCHEMBL14730689 0.80 KDM4E (0.47) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL16248398 0.80 KIF11 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL14730855 0.79 MAPKAPK2 (0.49) KDM4EGAAHSD17B10MEN1TSHR
SCHEMBL14730794 0.79 ROCK2 (0.44) TLR8TLR7TLR9
SCHEMBL14730797 0.78 SCN9A (0.43) SMN1; SMN2LMNATSHRTLR8TLR7
SCHEMBL14730767 0.78 ITK (0.44) KDM4EALDH1A1GAAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 KDM4E 4061/4885ALDH1A1 1605/4885GAA 3419/4885

“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.