SCHEMBL577970

SCHEMBL577970

[c]1nc2ccccc2nc1-c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 9/20 0.56
HPGD P15428 8/20 0.56
HSD17B10 Q99714 6/20 0.56
TDP1 Q9NUW8 5/20 0.56
POLB P06746 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
CASP1 P29466 4/20 0.56
CASP7 P55210 4/20 0.56
BLM P54132 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
PKM P14618 2/20 0.56
ALOX15 P16050 2/20 0.56
PTPN7 P35236 2/20 0.56
RECQL P46063 2/20 0.56
TSHR P16473 2/20 0.56
ALOX5 P09917 1/20 0.45
USP2 O75604 2/20 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
SCHEMBL4743418 0.74 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL27734202 0.72 MEN1 (1.00) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL577383 0.72 HPGDS (0.42) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3994631 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL578186 0.71 MAPT (0.42) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9843907 0.68 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL577716 0.67 MAPK10 (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL577952 0.66 MAPK14 (0.47) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL1434260 0.66 RAB9A (0.46) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL15577812 0.66 ATM (0.42) KDM4EALDH1A1HPGDHSD17B10TDP1

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-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-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-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 1913/4885HPGD 903/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885HPGD 903/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885ALDH1A1 1913/4885HPGD 903/4885

“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.