SCHEMBL3431668

SCHEMBL3431668

CC(C)c1cc2[nH]cnc2c2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 6/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PNP P00491 1/20 0.36
MEN1 O00255 2/20 0.35
BRD4 O60885 1/20 0.34
POLB P06746 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 2/20 0.33
VCP P55072 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PRNP P04156 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL806161 0.80 KMT2A (0.45) NPSR1HPGDUSP2LMNAHSD17B10
SCHEMBL23840126 0.69 NOS3 (0.39) HPGDLMNAKMT2AALDH1A1KDM4E
SCHEMBL18999656 0.69 GABRA1 (0.37) HPGDLMNAKMT2AALDH1A1PNP
SCHEMBL12110225 0.68 ACLY (0.35) HPGDLMNAKMT2AALDH1A1PNP
SCHEMBL17661910 0.68 GABRA1 (0.42) HPGDKMT2AALDH1A1PNPMEN1
SCHEMBL18254476 0.68 QPCT (0.33) HPGDKMT2AALDH1A1PNPMEN1
SCHEMBL22433010 0.66 MAPT (0.50) ALDH1A1KDM4EMAPTHTT
SCHEMBL7846846 0.66 BRD4 (0.40) NPSR1HPGDLMNAKMT2AALDH1A1
SCHEMBL23742733 0.66 MAPT (0.46) ALDH1A1KDM4EBRD4MAPTHTT
SCHEMBL17127786 0.66 PNP (0.33) HPGDKMT2AALDH1A1PNPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION SEIWERT SCOTT D (US) 2012-10-04 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US 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 (5 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP NPSR1 4141/4885HPGD 1047/4885USP2 2287/4885
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 NPSR1 4817/4885HPGD 2820/4885USP2 2540/4885
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF NPSR1 4563/4885HPGD 3046/4885USP2 1172/4885
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS NPSR1 4799/4885HPGD 2680/4885USP2 2185/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 NPSR1 4817/4885HPGD 2820/4885USP2 2540/4885

“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.