SCHEMBL17784010

SCHEMBL17784010

O=C(Nc1cc(F)c(F)c(F)c1)c1ccnc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MAOB P27338 1/20 0.43
KCNQ3 O43525 5/20 0.43
KCNQ2 O43526 5/20 0.43
KCNQ5 Q9NR82 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL17803595 0.87 RAB9A (0.57) CA12CA9MAOBKCNQ3KCNQ2
SCHEMBL25306343 0.83 CA12 (0.53) CA12CA9LMNANPC1RAB9A
SCHEMBL17803485 0.81 NPC1 (0.60) MAOBKCNQ3KCNQ2LMNANPC1
SCHEMBL15238338 0.80 LMNA (0.62) MAOBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL14764672 0.79 ALDH1A1 (0.50) CA12CA9NPC1RAB9AHDAC1
SCHEMBL25984088 0.77 LMNA (0.52) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL30963210 0.75 PDE4B (0.48) CA12CA9KCNQ3KCNQ2
SCHEMBL15238366 0.74 KCNK3 (0.67) LMNANPC1RAB9ASMN1; SMN2KCNK3
SCHEMBL15238556 0.74 NPC1 (0.63) CA12CA9LMNANPC1RAB9A
SCHEMBL1136917 0.74 MET (0.63) CA12CA9KCNQ3KCNQ2KCNE1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710959-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2020-07-14 US disclosed
US-10710959-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2020-07-14 US disclosed
EP-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed
EP-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-10-01 US disclosed
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-10-01 US disclosed
US-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2019-07-04 US disclosed
US-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2019-07-04 US disclosed
US-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2019-05-23 US disclosed
US-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2019-05-23 US disclosed
US-9597332-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-03-21 US disclosed
US-9597332-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-03-21 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-02 US disclosed
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-02 US disclosed
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-02 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 (6 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-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS CA12 2317/4885CA9 2581/4885MAOB 3507/4885
US-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 CA12 3206/4885CA9 3721/4885MAOB 3128/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS CA12 2317/4885CA9 2581/4885MAOB 3507/4885
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment HAVCR2, HCCS, NR1H4 CA12 3206/4885CA9 3721/4885MAOB 3128/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 CA12 3206/4885CA9 3721/4885MAOB 3128/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS CA12 2317/4885CA9 2581/4885MAOB 3507/4885

“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.