SCHEMBL577848

SCHEMBL577848

COc1ccc(-c2[c]nc3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 8/20 0.56
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 2/20 0.46
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
ACACA Q13085 1/20 0.44

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
SCHEMBL577836 0.83 NPC1 (0.56) KDM4EALDH1A1LMNANPSR1L3MBTL1
SCHEMBL578014 0.80 L3MBTL1 (0.57) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL577952 0.77 MAPK14 (0.47) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL577635 0.77 HDAC6 (0.46) KDM4EALDH1A1LMNANPSR1NPC1
SCHEMBL30696080 0.74 KDM4E (0.92) KDM4EALDH1A1LMNANPSR1TDP1
SCHEMBL6339578 0.74 KDM4E (0.92) KDM4EALDH1A1LMNANPSR1TDP1
SCHEMBL15056743 0.72 KDM4E (1.00) KDM4EALDH1A1LMNANPSR1TDP1
SCHEMBL558658 0.71 NQO2 (0.45) KDM4EALDH1A1LMNANPSR1TDP1
SCHEMBL6643019 0.70 ALDH1A1 (0.43) KDM4EALDH1A1TDP1L3MBTL1NPC1
SCHEMBL8009508 0.69 KDM4E (0.74) KDM4EALDH1A1LMNANPSR1TDP1

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 KDM4E 3609/4885ALDH1A1 1913/4885LMNA 1797/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885LMNA 1797/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885LMNA 1797/4885

“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.