SCHEMBL577962

SCHEMBL577962

[c]1nc2ccc(OCc3ccccc3)cc2nc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
HIF1A Q16665 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.39
FFAR1 O14842 1/20 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
SCHEMBL577963 0.83 RPS6KB2 (0.42) CYP3A4NPC1RAB9AALDH1A1CYP1A2
SCHEMBL577771 0.81 RPS6KB2 (0.39) CYP3A4NPC1RAB9AALDH1A1CYP1A2
SCHEMBL577988 0.76 RPS6KB2 (0.42) CYP3A4NPC1RAB9AALDH1A1CYP1A2
SCHEMBL577984 0.75 RPS6KB2 (0.40) NPC1RAB9AALDH1A1HSD17B10HPGD
SCHEMBL577668 0.75 NPC1 (0.46) NPC1RAB9AALDH1A1HSD17B10HPGD
SCHEMBL577780 0.75 GRM1 (0.43) NPC1RAB9AALDH1A1HSD17B10HPGD
SCHEMBL577508 0.75 KDM4E (0.49) NPC1RAB9AALDH1A1CASP1CASP7
SCHEMBL577563 0.73 HPGDS (0.55) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL577301 0.73 KMT2A (0.45) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL578083 0.73 NPC1 (0.49) CYP3A4NPC1RAB9AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885NPC1 427/4885RAB9A 2215/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885NPC1 427/4885RAB9A 2215/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885NPC1 427/4885RAB9A 2215/4885

“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.