SCHEMBL13879604

SCHEMBL13879604

CN(C)c1ccc(/C=C/C(=O)NCCN2CCOCC2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 2/20 0.52
LMNA P02545 4/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
BACE1 P56817 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HTR1A P08908 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KCNH2 Q12809 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
GSK3B P49841 1/20 0.44

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
SCHEMBL13879639 0.80 KDM4E (0.64) CYP3A4CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13879614 0.79 CYP3A4 (0.64) CYP3A4CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4276357 0.78 RAB9A (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDBACE1
SCHEMBL4276363 0.78 RAB9A (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDBACE1
SCHEMBL13879633 0.77 ITGB2 (0.59) CYP3A4CYP2C19SMN1; SMN2LMNAKMT2A
SCHEMBL13879650 0.76 CYP3A4 (0.62) CYP3A4CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4280119 0.73 ALDH1A1 (0.58) CYP3A4CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL4280125 0.73 ALDH1A1 (0.58) CYP3A4CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL1647252 0.73 BACE1 (0.80) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1647249 0.73 BACE1 (0.80) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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
CN-102304075-A Inhibitors of viral replication INTERMUNE INC 2012-01-04 CN disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
CN-101304976-A Inhibitors of viral replication INTERMUNE INC (US) 2008-11-12 CN disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 CYP3A4 1385/4885CYP2C19 2487/4885ALDH1A1 1500/4885

“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.