SCHEMBL17880552

SCHEMBL17880552

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCc2ccc3ccccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 3/20 0.46
GSK3A P49840 1/20 0.45
MAPK10 P53779 1/20 0.45
RIOK2 Q9BVS4 1/20 0.45
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOA P21397 2/20 0.42

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
SCHEMBL17880555 0.92 RAB9A (0.46) NPC1RAB9AL3MBTL1MAOBGSK3A
SCHEMBL17880525 0.89 NPC1 (0.57) NPC1RAB9AL3MBTL1MAOBKCNQ3
SCHEMBL17880554 0.88 NPC1 (0.49) NPC1RAB9AL3MBTL1MAOBKCNQ3
SCHEMBL17880532 0.88 MEN1 (0.53) NPC1RAB9AL3MBTL1MAOBKCNQ3
SCHEMBL17880501 0.86 SMN1; SMN2 (0.47) NPC1RAB9AL3MBTL1MAOBKCNQ3
SCHEMBL17880533 0.86 MEN1 (0.49) NPC1RAB9AL3MBTL1MAOBKCNQ3
SCHEMBL17880500 0.86 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1MAOBKCNQ3
SCHEMBL19380332 0.84 NPC1 (0.48) NPC1RAB9AL3MBTL1MAOBGSK3A
SCHEMBL17803568 0.84 NPC1 (0.48) NPC1RAB9AL3MBTL1MAOBGSK3A
SCHEMBL17880528 0.84 NPC1 (0.55) NPC1RAB9AL3MBTL1MAOBKCNQ3

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.