SCHEMBL13619715

SCHEMBL13619715

CCOC(=O)c1c(O)c2cncn2n(CCC(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 4/20 0.39
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCB11 O95342 1/20 0.36
GABRA2 P47869 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL3761069 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL3767062 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL3761082 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL1967538 0.67 KDM4E (0.63) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL2088519 0.65 KDM4E (0.53) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL1523071 0.65 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL1965306 0.65 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL4909426 0.65 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL29349561 0.65 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2LMNARECQL
SCHEMBL4904456 0.64 KDM4E (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A

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
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
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 1012/4885SMN1; SMN2 3563/4885

“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.