SCHEMBL1127294

SCHEMBL1127294

O=C(O)C(Cc1ccc(F)c(F)c1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
PIN1 Q13526 1/20 0.40
CHRNA7 P36544 1/20 0.39
PTPRA P18433 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2C19 P33261 1/20 0.38
CPB2 Q96IY4 2/20 0.37
P4HTM Q9NXG6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
GRM4 Q14833 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 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
SCHEMBL13620388 0.91 MME (0.42) MMEPIN1CHRNA7ALDH1A1CYP1A2
SCHEMBL1127513 0.85 KMT2A (0.50) MMECHRNA7ALDH1A1CYP1A2PTGDR2
SCHEMBL1127686 0.83 PTPRA (0.41) MMEPTPRAALDH1A1CYP1A2PPARG
SCHEMBL1127361 0.82 CYP1A2 (0.53) PTPRAALDH1A1CYP1A2CYP2C19CPB2
SCHEMBL13662193 0.82 MME (0.39) MMEPIN1CHRNA7ALDH1A1CYP1A2
SCHEMBL1127590 0.82 KMT2A (0.46) MMECYP1A2PPARGP4HTMNPSR1
SCHEMBL12627633 0.81 CPB2 (0.39) PIN1CPB2
SCHEMBL4281403 0.80 KMT2A (0.46) MMECHRNA7ALDH1A1CYP1A2PPARG
SCHEMBL4281414 0.79 MME (0.38) MMECHRNA7ALDH1A1CYP1A2PPARG
SCHEMBL1128190 0.79 PPARG (0.43) PTPRAALDH1A1CYP1A2PPARGCYP2C19

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 MME 377/4885PIN1 2485/4885CHRNA7 4867/4885

“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.