SCHEMBL17784145

SCHEMBL17784145

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
XBP1 P17861 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
ACP1 P24666 1/20 0.49
LMNA P02545 1/20 0.49
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
MAOB P27338 1/20 0.44
P2RX1 P51575 2/20 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
SCHEMBL17784122 0.88 MAPT (0.58) NOTUMMAPTNPSR1XBP1MEN1
SCHEMBL17783994 0.82 NPC1 (0.58) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL24671304 0.79 MAPT (0.72) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL29803393 0.79 MAPT (0.72) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL17784020 0.77 KMT2A (0.59) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL17784110 0.77 KCNQ3 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17792180 0.75 KCNQ3 (0.40) MAPTNPSR1XBP1NPC1RAB9A
SCHEMBL24670710 0.75 MAPT (0.75) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL29803311 0.75 MAPT (0.75) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL17784123 0.75 NPC1 (0.47) MEN1KMT2ANPC1RAB9AKCNQ3

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 NOTUM 4045/4885MAPT 4829/4885NPSR1 1805/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NOTUM 4045/4885MAPT 4829/4885NPSR1 1805/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NOTUM 4045/4885MAPT 4829/4885NPSR1 1805/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NOTUM 4045/4885MAPT 4829/4885NPSR1 1805/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NOTUM 4045/4885MAPT 4829/4885NPSR1 1805/4885

“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.