SCHEMBL2789701

SCHEMBL2789701

N#Cc1ccc2oc(CI)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.42
CYP2A6 P11509 1/20 0.41
PSMB8 P28062 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
GRK6 P43250 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL16515861 0.84 CETP (0.42) CETPCYP2A6PSMB8HDAC6GRK6
SCHEMBL5229436 0.84 PSMB8 (0.44) CETPCYP2A6PSMB8HDAC6GRK6
SCHEMBL30358385 0.80 CETP (0.44) CETPCYP2A6PSMB8HDAC6GRK6
SCHEMBL103936 0.79 GRK6 (0.40) CETPCYP2A6PSMB8HDAC6GRK6
SCHEMBL12778294 0.78 CYP2A6 (0.44) CETPCYP2A6PSMB8HDAC6NOS3
SCHEMBL31119214 0.76 LMNA (0.58) CETPCYP2A6PSMB8HDAC6NOS3
SCHEMBL11443247 0.76 LMNA (0.58) CETPCYP2A6PSMB8HDAC6NOS3
SCHEMBL14432506 0.75 SOS1 (0.58) CETP
SCHEMBL17942214 0.75 CYP2A6 (0.44) CETPCYP2A6PSMB8HDAC6NOS3
SCHEMBL2711759 0.75 CYP2A6 (0.44) CETPCYP2A6PSMB8HDAC6NOS3

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
US-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-07-01 US disclosed
EP-2134686-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-23 EP disclosed
WO-2008110793-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-18 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-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation ARG1, ARG2, PRMT1 CETP 3876/4885CYP2A6 2141/4885PSMB8 3657/4885

“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.