SCHEMBL1496442

SCHEMBL1496442

CCOC(=O)c1c(F)ccc(NC(C)C)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 4/20 0.40
PRKCZ Q05513 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
GRM6 O15303 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 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
SCHEMBL27492232 0.80 HPGD (0.48) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL1656823 0.80 HCAR3 (0.42) NPC1KDM4EGAAHSD17B10MAPK1
SCHEMBL1496423 0.80 KMT2A (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL939282 0.78 ALDH1A1 (0.47) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL4188886 0.75 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25353121 0.73 ALDH1A1 (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL4341372 0.72 ALOX15 (0.63) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL5431033 0.72 ALDH1A1 (0.47) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL940019 0.71 PRKCZ (0.45) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1997194 0.71 CA12 (0.53) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 SMN1; SMN2 3157/4885MAPT 4715/4885NPC1 937/4885

“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.