SCHEMBL17880535

SCHEMBL17880535

CC(C)(C)CNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL17880537 0.89 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880503 0.85 LMNA (0.56) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL19380330 0.84 SMN1; SMN2 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17803603 0.83 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL19380317 0.83 NPC1 (0.51) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880507 0.82 PTGDR2 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880523 0.82 ALDH1A1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880510 0.82 MAPK14 (0.58) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17803565 0.82 L3MBTL1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2KCNQ3
SCHEMBL17880557 0.81 PTGDR2 (0.46) 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.