SCHEMBL14730815

SCHEMBL14730815

CC1(C)CC(=O)c2[nH]c3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
OPRM1 P35372 2/20 0.42
CYP1A2 P05177 4/20 0.41
TNKS2 Q9H2K2 2/20 0.41
CYP2C19 P33261 2/20 0.41
PARP1 P09874 2/20 0.40
GPR3 P46089 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16248397 0.80 LMNA (0.50) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL14730818 0.80 MAPKAPK2 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL22224694 0.71 ALDH1A1 (0.50) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL18347369 0.69 KIF11 (0.38) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL1966306 0.67 NR1H4 (0.40) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL7126450 0.67 ALDH1A1 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL14895777 0.67 ALDH1A1 (0.53) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL21549119 0.67 HTR2A (0.42) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL14731462 0.65 LMNA (0.55) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL20368837 0.64 MEN1 (0.39) MEN1KMT2AHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748167-B1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim 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-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 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
WO-2013026162-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 (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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 MEN1 2061/4885KMT2A 4109/4885HSD17B10 611/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 MEN1 3556/4885KMT2A 4476/4885HSD17B10 901/4885

“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.