SCHEMBL2683383

SCHEMBL2683383

CCOc1cc(NC(=O)c2ccc(F)nc2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
P4HTM Q9NXG6 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
NR4A1 P22736 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRM4 Q14833 1/20 0.45

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
SCHEMBL24671538 0.84 MAPT (0.58) MAPTMEN1KMT2AKCNQ3KCNQ2
SCHEMBL2682582 0.84 ABL1 (0.53) MAPTMEN1KMT2AKCNQ3KCNQ2
SCHEMBL2681972 0.82 RAB9A (0.63) MAPTMEN1KMT2AKCNQ3KCNQ2
SCHEMBL9996831 0.76 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL4727649 0.76 KCNQ3 (0.58) MAPTMEN1KMT2AKCNQ3KCNQ2
SCHEMBL527474 0.76 TDP1 (0.65) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL16560420 0.74 TBK1 (0.49) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL4257363 0.72 NPC1 (0.65) MAPTMEN1KMT2AKCNQ3KCNQ2
SCHEMBL2055269 0.71 RAB9A (0.67) KMT2ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL29803730 0.70 GRM4 (0.56) MAPTMEN1KMT2AKCNQ3KCNQ2

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 7 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
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 MAPT 3876/4885MEN1 3635/4885KMT2A 4426/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 MAPT 4309/4885MEN1 4415/4885KMT2A 3825/4885

“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.