SCHEMBL9977178

SCHEMBL9977178

Brc1ccc(-c2ccc(-c3cnc(C4CCCC4)[nH]3)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.42
HPGDS O60760 6/20 0.40
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
RPS6KB1 P23443 4/20 0.37
AKT1 P31749 3/20 0.37
SSTR3 P32745 2/20 0.35
KCNH2 Q12809 2/20 0.35
TTK P33981 1/20 0.34
SSTR5 P35346 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL9977195 0.82 MAPK13 (0.52) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL19566591 0.81 SCN10A (0.52) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL17014412 0.80 MAPK13 (0.51) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL10144846 0.80 MAPK13 (0.51) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL15430158 0.78 MAPK13 (0.41) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL17281351 0.76 SCN10A (0.48) SCN10AHPGDSSSTR3KCNH2TTK
SCHEMBL16577349 0.76 SSTR3 (0.48) SCN10AHPGDSSSTR3KCNH2TTK
SCHEMBL9977179 0.76 SCN10A (0.36) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL456621 0.75 MAPK13 (0.55) SCN10AHPGDSMAPK13MAPK12MAPK11
SCHEMBL17281352 0.75 HPGDS (0.62) SCN10AHPGDSSSTR3KCNH2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885HPGDS 2361/4885MAPK13 3853/4885

“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.