SCHEMBL9977183

SCHEMBL9977183

Brc1cnc(C2CCCC2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HPGDS O60760 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
NPY5R Q15761 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA1 P30542 2/20 0.30
ADORA2B P29275 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL17810262 0.96 HPGDS (0.33) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL7602015 0.75 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL19862537 0.75 NPC1 (0.40) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL6633132 0.73 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL6633135 0.73 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL9977195 0.73 MAPK13 (0.52) HPGDSNPC1RAB9ASCN10A
SCHEMBL903826 0.73 CHRNB2 (0.41) SCN10A
SCHEMBL15098648 0.73 CHRNB2 (0.41) SCN10A
SCHEMBL10144846 0.72 MAPK13 (0.51) HPGDSNPC1RAB9ASCN10A
SCHEMBL15159435 0.72 HPGDS (0.36) HPGDSSCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186806-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-07-05 US disclosed
US-9868745-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-01-16 US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 US disclosed
US-9682989-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-20 US disclosed
US-20170145027-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-05-25 US 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
US-20160115175-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2016-04-28 US disclosed
US-20160083394-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8575135-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130177530-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-07-11 US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 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 (14 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-20170145027-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885HPGD 3745/4885
US-20130177530-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885HPGD 3745/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885HPGD 3745/4885
US-20180186806-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885HPGD 3745/4885
US-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C HAVCR2, ZC3HAV1, EIF2AK2 KDM4E 2021/4885ALDH1A1 299/4885HPGD 2932/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S KDM4E 3580/4885ALDH1A1 743/4885HPGD 3310/4885
US-20160083394-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885
US-20160115175-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 KDM4E 3215/4885ALDH1A1 3925/4885HPGD 4010/4885

“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.