SCHEMBL577836

SCHEMBL577836

CCOc1ccc(-c2[c]nc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
KDM4E B2RXH2 6/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 3/20 0.46
GUSB P08236 1/20 0.46
HPGD P15428 5/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
RAD52 P43351 1/20 0.43
SLC2A1 P11166 1/20 0.43
NQO1 P15559 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL577848 0.83 KDM4E (0.56) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL578186 0.76 MAPT (0.42) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL19789870 0.74 KDM4E (0.67) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL577952 0.74 MAPK14 (0.47) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL9479759 0.74 MAPT (0.41) NPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL577635 0.73 HDAC6 (0.46) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL577716 0.72 MAPK10 (0.44) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL29488297 0.70 KDM4E (0.61) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL600607 0.70 KDM4E (0.61) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL578014 0.70 L3MBTL1 (0.57) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1

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 NPC1 427/4885KDM4E 3609/4885MAPT 3077/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885KDM4E 3609/4885MAPT 3077/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885KDM4E 3609/4885MAPT 3077/4885

“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.