SCHEMBL13619712

SCHEMBL13619712

CCOC(=O)C(C(=O)OCC)C(=O)C(CCC1CC1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 5/20 0.43
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 4/20 0.36
IDH1 O75874 1/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL13619709 0.90 MEN1 (0.52) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13619603 0.83 MEN1 (0.52) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13619713 0.83 GAA (0.44) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13620000 0.83 KDM4E (0.50) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27103723 0.80 MEN1 (0.58) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13619711 0.79 CYP2C19 (0.49) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL1127316 0.78 MEN1 (0.52) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL4278335 0.77 MEN1 (0.54) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13658265 0.76 SMN1; SMN2 (0.58) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1127307 0.75 KMT2A (0.49) GAAMEN1KMT2ASMN1; SMN2CYP2C19

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 GAA 799/4885MEN1 4723/4885KMT2A 2735/4885

“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.