SCHEMBL2756508

SCHEMBL2756508

Cc1ccc2c(=O)c3cc(C)ccc3[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
NPC1 O15118 2/20 0.77
POLB P06746 2/20 0.77
KIF11 P52732 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 5/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
GAA P10253 3/20 0.47
GLA P06280 2/20 0.47
HTT P42858 2/20 0.47
ACHE P22303 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL10078171 0.98 MEN1 (0.74) MEN1KMT2ANPC1POLBKIF11
SCHEMBL9571854 0.92 MEN1 (0.65) MEN1KMT2ANPC1POLBKIF11
SCHEMBL29355013 0.92 NPC1 (0.76) MEN1KMT2ANPC1POLBKIF11
SCHEMBL276094 0.92 NPC1 (0.76) MEN1KMT2ANPC1POLBKIF11
SCHEMBL29475421 0.92 NPC1 (0.76) MEN1KMT2ANPC1POLBKIF11
SCHEMBL13933160 0.92 NPC1 (0.81) MEN1KMT2ANPC1POLBKIF11
SCHEMBL21327343 0.88 KIF11 (0.66) MEN1KMT2ANPC1POLBKIF11
SCHEMBL12039630 0.87 NPC1 (0.93) MEN1KMT2ANPC1POLBKIF11
SCHEMBL17616019 0.87 MEN1 (1.00) MEN1KMT2ANPC1POLBKIF11
SCHEMBL10861569 0.87 MEN1 (0.80) MEN1KMT2ANPC1POLBKIF11

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 8 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
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 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-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 (4 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 MEN1 4292/4885KMT2A 3803/4885NPC1 516/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885NPC1 516/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885NPC1 516/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885NPC1 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.