SCHEMBL17784122

SCHEMBL17784122

O=C(Nc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
XBP1 P17861 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 2/20 0.54
NOTUM Q6P988 1/20 0.52
MAOB P27338 4/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KCNQ3 O43525 3/20 0.51
KCNQ2 O43526 3/20 0.51
KCNE1 P15382 2/20 0.51
KCNQ1 P51787 2/20 0.51
TRPA1 O75762 1/20 0.47

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
SCHEMBL17783994 0.88 NPC1 (0.58) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL17784145 0.88 NOTUM (0.54) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL15847328 0.86 NPC1 (0.64) MAPTNPC1RAB9ALMNAMAOB
SCHEMBL24671304 0.83 MAPT (0.72) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL29803393 0.83 MAPT (0.72) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL24671323 0.81 MAOB (0.65) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL24670710 0.80 MAPT (0.75) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL29803311 0.80 MAPT (0.75) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL17784030 0.77 KCNQ3 (0.55) NPC1RAB9ALMNAMAOBCASP3
SCHEMBL17783997 0.77 KMT2A (0.65) MAPTNPC1RAB9AMEN1KMT2A

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 13 patents. 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
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-10196351-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-10196351-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC 2017-10-19 US disclosed
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC 2017-10-19 US disclosed
EP-3227262-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT Novira Therapeutics Inc. (US) 2017-10-11 EP disclosed
US-9597332-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-03-21 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MAPT 4829/4885NPSR1 1805/4885XBP1 228/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS MAPT 4829/4885NPSR1 1805/4885XBP1 228/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS MAPT 4829/4885NPSR1 1805/4885XBP1 228/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS MAPT 4829/4885NPSR1 1805/4885XBP1 228/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS MAPT 4829/4885NPSR1 1805/4885XBP1 228/4885

“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.