SCHEMBL578014

SCHEMBL578014

COc1ccc(-c2[c]nc3ccccc3n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NQO2 P16083 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ACACA Q13085 1/20 0.49
POLB P06746 1/20 0.47
HSD17B10 Q99714 3/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 3/20 0.46
GUSB P08236 1/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46

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 0.80 KDM4E (0.56) L3MBTL1NPC1KDM4EALDH1A1RAB9A
SCHEMBL15075259 0.73 L3MBTL1 (1.00) L3MBTL1NPC1KDM4EALDH1A1RAB9A
SCHEMBL6643019 0.73 ALDH1A1 (0.43) L3MBTL1NPC1KDM4EALDH1A1RAB9A
SCHEMBL578186 0.73 MAPT (0.42) L3MBTL1NPC1KDM4EALDH1A1RAB9A
SCHEMBL578149 0.71 GLA (0.56) ALDH1A1SMN1; SMN2NQO2POLBHPGD
SCHEMBL578150 0.71 GLA (0.56) ALDH1A1SMN1; SMN2NQO2POLBHPGD
SCHEMBL29149165 0.71 NPC1 (0.66) L3MBTL1NPC1KDM4EALDH1A1RAB9A
SCHEMBL577952 0.70 MAPK14 (0.47) L3MBTL1NPC1KDM4EALDH1A1RAB9A
SCHEMBL577635 0.70 HDAC6 (0.46) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL577836 0.70 NPC1 (0.56) L3MBTL1NPC1KDM4EALDH1A1RAB9A

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 L3MBTL1 2994/4885NPC1 427/4885KDM4E 3609/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 L3MBTL1 2994/4885NPC1 427/4885KDM4E 3609/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 L3MBTL1 2994/4885NPC1 427/4885KDM4E 3609/4885

“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.