SCHEMBL2681776

SCHEMBL2681776

O=C(Nc1ccc(Br)cc1)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
USP2 O75604 2/20 0.68
MAPT P10636 8/20 0.61
NAMPT P43490 2/20 0.58
ALDH1A1 P00352 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 4/20 0.54
TP53 P04637 3/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1664423 0.90 MAPT (0.64) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL1663271 0.86 NPC1 (0.65) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL8770393 0.86 MAPT (0.59) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL1666202 0.85 MAPT (0.58) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL5184503 0.85 KMT2A (0.75) KMT2AUSP2MAPTALDH1A1CYP2C9
SCHEMBL11889815 0.83 TDP1 (0.64) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL1663821 0.82 MAPT (0.55) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL1664431 0.82 MAPT (0.56) KMT2AUSP2MAPTNAMPTALDH1A1
SCHEMBL8770705 0.80 MAPT (0.86) KMT2AMAPTNAMPTALDH1A1CYP2C19
SCHEMBL1664364 0.79 HPGDS (0.59) KMT2AUSP2MAPTNAMPTALDH1A1

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 14 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
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US 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
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
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US 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 KMT2A 4426/4885USP2 3225/4885MAPT 3876/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 KMT2A 3825/4885USP2 3530/4885MAPT 4309/4885

“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.