SCHEMBL17880554

SCHEMBL17880554

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCc2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
PLA2G1B P04054 1/20 0.46
GAA P10253 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAOB P27338 3/20 0.45
AURKA O14965 1/20 0.45
NTRK1 P04629 1/20 0.45
MAOA P21397 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL17880532 0.95 MEN1 (0.53) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880533 0.93 MEN1 (0.49) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880500 0.93 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880525 0.93 NPC1 (0.57) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880556 0.93 KCNQ3 (0.48) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL17880501 0.91 SMN1; SMN2 (0.47) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880507 0.90 PTGDR2 (0.47) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880548 0.90 SIRT2 (0.46) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880557 0.90 PTGDR2 (0.46) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880552 0.88 NPC1 (0.49) NPC1RAB9AL3MBTL1KCNQ3KCNQ2

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.