SCHEMBL17880549

SCHEMBL17880549

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.46
KCNQ2 O43526 3/20 0.46
SIRT2 Q8IXJ6 3/20 0.44
CNR1 P21554 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GRM5 P41594 1/20 0.41
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
FFAR1 O14842 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL17880548 0.92 SIRT2 (0.46) KCNQ3KCNQ2SIRT2CNR1NPC1
SCHEMBL17880534 0.89 MAPT (0.48) KCNQ3KCNQ2NPC1RAB9AMEN1
SCHEMBL17880556 0.88 KCNQ3 (0.48) KCNQ3KCNQ2CNR1NPC1RAB9A
SCHEMBL17880511 0.87 ALDH1A1 (0.51) KCNQ3KCNQ2NPC1RAB9AMEN1
SCHEMBL17803520 0.84 SIRT2 (0.48) KCNQ3KCNQ2SIRT2NPC1RAB9A
SCHEMBL17880508 0.84 MAPT (0.44) KCNQ3KCNQ2NPC1RAB9AMEN1
SCHEMBL17880505 0.84 ESRRG (0.47) KCNQ3KCNQ2CNR1NPC1RAB9A
SCHEMBL19380321 0.83 SIRT2 (0.46) KCNQ3KCNQ2SIRT2NPC1RAB9A
SCHEMBL17880555 0.82 RAB9A (0.46) KCNQ3KCNQ2NPC1RAB9AMEN1
SCHEMBL17880554 0.81 NPC1 (0.49) KCNQ3KCNQ2NPC1RAB9AMEN1

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 KCNQ3 4672/4885KCNQ2 4627/4885SIRT2 262/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 KCNQ3 4672/4885KCNQ2 4627/4885SIRT2 262/4885

“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.