SCHEMBL1496428

SCHEMBL1496428

COc1ccc2c(Cl)nc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
GFER P55789 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTSS P25774 1/20 0.31
CYP19A1 P11511 1/20 0.30
PDPK1 O15530 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1496441 0.87 ALDH1A1 (0.33) APLNRALDH1A1KDM4ETDP1MAPT
SCHEMBL882975 0.87 ALDH1A1 (0.33) APLNRALDH1A1KDM4ETDP1CTSS
SCHEMBL15216093 0.86 ALDH1A1 (0.32) APLNRALDH1A1KDM4ETDP1CTSS
SCHEMBL8004421 0.86 ADORA2A (0.39) APLNRALDH1A1KDM4ETDP1LMNA
SCHEMBL3429859 0.84 MAPT (0.35) APLNRALDH1A1KDM4ETDP1MAPT
SCHEMBL3478864 0.84 ALDH1A1 (0.34) APLNRALDH1A1KDM4ETDP1LMNA
SCHEMBL3429563 0.84 KDM4E (0.31) APLNRALDH1A1KDM4ETDP1CTSS
SCHEMBL874861 0.81 CTSS (0.36) APLNRALDH1A1KDM4ETDP1LMNA
SCHEMBL12730967 0.79 APLNR (0.35) APLNRALDH1A1KDM4ETDP1LMNA
SCHEMBL313190 0.79 APLNR (0.33) APLNRALDH1A1KDM4ETDP1MAPT

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 6 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
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 APLNR 4580/4885ALDH1A1 1769/4885KDM4E 457/4885

“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.