SCHEMBL17880548

SCHEMBL17880548

N#Cc1ccc(CCNc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MALT1 Q9UDY8 1/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
MAP3K8 P41279 1/20 0.42
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
AURKA O14965 1/20 0.41
NTRK1 P04629 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL17880549 0.92 KCNQ3 (0.46) SIRT2CNR1NPC1RAB9AKCNQ3
SCHEMBL17880554 0.90 NPC1 (0.49) L3MBTL1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL17880532 0.89 MEN1 (0.53) L3MBTL1CNR1NPC1RAB9AKCNQ3
SCHEMBL17880533 0.88 MEN1 (0.49) L3MBTL1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL17880500 0.88 ALDH1A1 (0.48) L3MBTL1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL17880525 0.88 NPC1 (0.57) L3MBTL1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL17880501 0.86 SMN1; SMN2 (0.47) L3MBTL1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL17803480 0.85 SIRT2 (0.50) SIRT2L3MBTL1NPC1RAB9AMALT1
SCHEMBL17880507 0.85 PTGDR2 (0.47) L3MBTL1CNR1NPC1RAB9AKCNQ3
SCHEMBL19380116 0.84 SIRT2 (0.48) SIRT2L3MBTL1NPC1RAB9AMALT1

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-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-9765050-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (2 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-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 SIRT2 262/4885L3MBTL1 3492/4885CNR1 1494/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 SIRT2 262/4885L3MBTL1 3492/4885CNR1 1494/4885

“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.