SCHEMBL2681972

SCHEMBL2681972

Cc1cc(NC(=O)c2ccc(F)nc2)ccc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
NPC1 O15118 6/20 0.63
KCNQ3 O43525 3/20 0.54
KCNQ2 O43526 3/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P4HTM Q9NXG6 2/20 0.48
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KCNE1 P15382 1/20 0.46

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
SCHEMBL2683383 0.82 MAPT (0.52) NPC1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL24670696 0.81 RAB9A (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL29803640 0.81 RAB9A (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL29803287 0.81 MAOB (0.59) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL24670851 0.81 MAOB (0.59) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL4727649 0.80 KCNQ3 (0.58) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL2682582 0.79 ABL1 (0.53) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL24670735 0.78 MAOB (0.62) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL30182470 0.77 RAB9A (0.60) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4257363 0.77 NPC1 (0.65) RAB9ANPC1KCNQ3KCNQ2MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
EP-2635571-B1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-12 EP disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-8921372-B2 Inhibitors of hepatitis C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-30 US disclosed
EP-2635571-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS Theravance, Inc. (US) 2013-09-11 EP disclosed
CN-103189371-A Novel hepatitis c virus inhibitors THERAVANCE INC 2013-07-03 CN disclosed
WO-2012061552-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 WO disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF RAB9A 2645/4885NPC1 73/4885KCNQ3 4064/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 RAB9A 1595/4885NPC1 47/4885KCNQ3 3724/4885

“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.