SCHEMBL2706170

SCHEMBL2706170

CC(C)c1ccc2c(c1)nnc1cc(C(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SCN4A P35499 1/20 0.40
TRPA1 O75762 1/20 0.40
PTGS1 P23219 1/20 0.40
CACNA1C Q13936 1/20 0.40
TYR P14679 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL2757113 0.90 LMNA (0.39) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL22725525 0.74 NPC1 (0.47) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL26729929 0.73 ALDH1A1 (0.62) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12938128 0.73 NPC1 (0.50) LMNANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL2706284 0.73 NPC1 (0.50) LMNANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL22357759 0.73 LMNA (0.43) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28202913 0.72 KDM4E (0.56) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13154924 0.71 ADORA2A (0.43) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13310586 0.71 RAB9A (0.38) LMNANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL13122014 0.71 KIF11 (0.40) KIF11LMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US 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
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 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-20160329510-A1 PHOTOVOLTAIC CELLS MERCK PATENT GMBH (DE) 2016-11-10 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-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-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
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885LMNA 1353/4885NPC1 516/4885

“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.