SCHEMBL1129447

SCHEMBL1129447

CCC(C)OC(=O)C(C(=O)O)C(=O)C(Cc1ccc(N(C)C)cc1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.38
PPARG P37231 4/20 0.36
GAA P10253 3/20 0.36
PPARA Q07869 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL1127319 0.91 MAPT (0.39) ALDH1A1KDM4EKMT2AGAACYP2C19
SCHEMBL1127394 0.88 MME (0.39) ALDH1A1NPSR1KMT2APPARGGAA
SCHEMBL1127320 0.87 TSHR (0.44) ALDH1A1KMT2APPARGGAAPPARA
SCHEMBL1127442 0.86 KDM4E (0.37) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL4281414 0.84 MME (0.38) ALDH1A1KMT2APPARGGAAMAPT
SCHEMBL1127497 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AGAACYP2C19
SCHEMBL1127508 0.83 GAA (0.46) ALDH1A1KDM4ENPSR1KMT2AGAA
SCHEMBL1127255 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ENPSR1KMT2AGAA
SCHEMBL1127310 0.81 KMT2A (0.36) ALDH1A1KDM4EKMT2APPARGGAA
SCHEMBL1127832 0.81 TAAR1 (0.40) ALDH1A1KDM4EKMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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 (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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF ALDH1A1 1614/4885KDM4E 1012/4885NPSR1 4539/4885

“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.