SCHEMBL206295

SCHEMBL206295

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.72
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
USP30 Q70CQ3 2/20 0.59
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
JAK2 O60674 2/20 0.57
FPR3 P25089 2/20 0.55
FPR2 P25090 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
UCHL1 P09936 2/20 0.51
JAK3 P52333 1/20 0.51
HDAC8 Q9BY41 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL2709482 1.00 NPC1 (0.72) NPC1KMT2AMEN1USP30LMNA
SCHEMBL3833819 0.97 NPC1 (0.77) NPC1KMT2AMEN1USP30LMNA
SCHEMBL10092397 0.97 NPC1 (0.77) NPC1KMT2AMEN1USP30LMNA
SCHEMBL31188356 0.97 NPC1 (0.77) NPC1KMT2AMEN1USP30LMNA
SCHEMBL17474759 0.94 NPC1 (0.80) NPC1KMT2AMEN1USP30LMNA
SCHEMBL17474788 0.94 NPC1 (0.80) NPC1KMT2AMEN1USP30LMNA
SCHEMBL31148235 0.93 NPC1 (0.72) NPC1KMT2AMEN1USP30LMNA
SCHEMBL17474789 0.91 NPC1 (0.75) NPC1KMT2AMEN1USP30LMNA
SCHEMBL17474785 0.91 NPC1 (0.75) NPC1KMT2AMEN1USP30LMNA
SCHEMBL1752680 0.90 NPC1 (0.74) NPC1KMT2AMEN1USP30LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885KMT2A 3803/4885MEN1 4292/4885

“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.