SCHEMBL1127307

SCHEMBL1127307

CCOC(=O)C(C(=O)OCC)C(=O)C(Cc1ccccc1F)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 4/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MME P08473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.37
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL1128211 0.91 KMT2A (0.52) KMT2ASMN1; SMN2MEN1GAALMNA
SCHEMBL4281403 0.84 KMT2A (0.46) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL1127316 0.84 MEN1 (0.52) KMT2ASMN1; SMN2MEN1GAALMNA
SCHEMBL1127495 0.84 KMT2A (0.47) KMT2ASMN1; SMN2MEN1GAALMNA
SCHEMBL1127310 0.82 KMT2A (0.36) KMT2ASMN1; SMN2MEN1GAALMNA
SCHEMBL1127390 0.80 KMT2A (0.48) KMT2ASMN1; SMN2MEN1GAALMNA
SCHEMBL1128190 0.79 PPARG (0.43) SMN1; SMN2LMNAKDM4EALDH1A1NPC1
SCHEMBL1127246 0.79 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL1127315 0.79 MEN1 (0.47) KMT2ASMN1; SMN2MEN1GAALMNA
SCHEMBL13619603 0.79 MEN1 (0.52) KMT2ASMN1; SMN2MEN1GAALMNA

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
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
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 KMT2A 2735/4885SMN1; SMN2 3563/4885MEN1 4723/4885

“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.