SCHEMBL17880537

SCHEMBL17880537

CC(C)(C)CCNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL17880535 0.89 NPC1 (0.51) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880507 0.84 PTGDR2 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880531 0.84 SMN1; SMN2 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880557 0.84 PTGDR2 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880554 0.83 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880503 0.83 LMNA (0.56) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880500 0.83 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880533 0.83 MEN1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880527 0.83 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL19380330 0.82 SMN1; SMN2 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3

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 NPC1 798/4885RAB9A 2638/4885L3MBTL1 3492/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 NPC1 798/4885RAB9A 2638/4885L3MBTL1 3492/4885

“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.