SCHEMBL14730855

SCHEMBL14730855

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.49
HTR1B P28222 5/20 0.40
HTR1D P28221 3/20 0.40
HTR1A P08908 3/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAP2K7 O14733 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR7 P34969 2/20 0.36
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36

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
SCHEMBL14730689 0.88 KDM4E (0.47) MAPKAPK2KDM4EHSD17B10MEN1KMT2A
SCHEMBL16248398 0.88 KIF11 (0.44) MAPKAPK2HTR1BHTR1DHTR1AKDM4E
SCHEMBL14730846 0.85 KDM4E (0.51) MAPKAPK2KDM4EHSD17B10MEN1KMT2A
SCHEMBL14730800 0.82 PARP1 (0.49) MAPKAPK2KDM4EHSD17B10KMT2A
SCHEMBL14730732 0.80 KDM4E (0.43) MAPKAPK2GAAKDM4EHSD17B10
SCHEMBL14730798 0.79 RAB9A (0.44) MAPKAPK2
SCHEMBL14730847 0.79 SMYD3 (0.55)
SCHEMBL14730799 0.79 SMYD3 (0.55)
SCHEMBL14730729 0.79 KDM4E (0.48) MAPKAPK2GAAKDM4EHSD17B10MEN1
SCHEMBL14730768 0.78 RAB9A (0.50) MAPKAPK2KDM4E

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 MAPKAPK2 4574/4885HTR1B 792/4885HTR1D 2947/4885

“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.