SCHEMBL17784134

SCHEMBL17784134

Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.49
KCNQ2 O43526 3/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
KCNQ5 Q9NR82 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 1/20 0.46
KIT P10721 1/20 0.46
MTOR P42345 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL17784128 0.87 NPC1 (0.57) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL19479145 0.86 RAB9A (0.47) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL24771601 0.82 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL17784117 0.82 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3302366 0.82 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL17784121 0.81 NPC1 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL17316199 0.80 P2RX1 (0.59) HDAC6KITMTORMAPTHTT
SCHEMBL21620324 0.80 NPC1 (0.65) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5498213 0.79 KIT (0.61) KCNQ3KCNQ2KCNE1KCNQ1KIT
SCHEMBL28499817 0.78 NPC1 (0.66) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1

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 10 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
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-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 KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885

“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.