SCHEMBL14730800

SCHEMBL14730800

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCCN)cc23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPKAPK2 P49137 1/20 0.43
TERT O14746 2/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
CHEK1 O14757 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
KMT2A Q03164 1/20 0.39

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 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDMAPKAPK2HSD17B10
SCHEMBL14730729 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDMAPKAPK2HSD17B10
SCHEMBL14730798 0.83 RAB9A (0.44) MAPKAPK2TLR8TLR7
SCHEMBL14730855 0.82 MAPKAPK2 (0.49) KDM4EMAPKAPK2HSD17B10KMT2A
SCHEMBL14730689 0.81 KDM4E (0.47) PARP1KDM4EALDH1A1HPGDMAPKAPK2
SCHEMBL16248398 0.81 KIF11 (0.44) PARP1KDM4EALDH1A1MAPKAPK2HSD17B10
SCHEMBL14730847 0.81 SMYD3 (0.55) TLR8TLR7
SCHEMBL14730799 0.81 SMYD3 (0.55) TLR8TLR7
SCHEMBL14730846 0.80 KDM4E (0.51) PARP1KDM4EALDH1A1HPGDMAPKAPK2
SCHEMBL14730794 0.79 ROCK2 (0.44) PARP1TLR8TLR7

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 PARP1 3610/4885KDM4E 4061/4885ALDH1A1 1605/4885

“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.