SCHEMBL704825

SCHEMBL704825

COc1ccc(-c2[nH]nnc2-c2cccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.59
MAPT P10636 11/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 4/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
PPARG P37231 2/20 0.43
NCOA2 Q15596 2/20 0.43
NCOA1 Q15788 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 3/20 0.43

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
SCHEMBL28115673 0.85 BTK (0.48) PDE10AMAPTMEN1KMT2ATDP1
SCHEMBL28326515 0.84 MAPT (0.56) PDE10AMAPTMEN1KMT2AL3MBTL1
SCHEMBL10959629 0.78 PDE10A (0.59) PDE10AMAPTMEN1KMT2AL3MBTL1
SCHEMBL28327765 0.78 FYN (0.43) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL704896 0.77 GABRA1 (0.41) PDE10AMAPTKMT2ANPC1RAB9A
SCHEMBL3276928 0.77 MAPK14 (0.53) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL702859 0.76 IDO1 (0.43) PDE10AMAPTMEN1KMT2ANPC1
SCHEMBL23951 0.75 MAPT (0.59) PDE10AMAPTMEN1KMT2AL3MBTL1
SCHEMBL701773 0.74 XDH (0.49) MAPTKMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL10810821 0.74 PDE10A (1.00) PDE10AMAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
CN-1771050-A macrocyclic inhibitors of hepatitis c serine protease ENANTA PHARM INC (US) 2006-05-10 CN disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO 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 (2 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 PDE10A 2689/4885MAPT 4214/4885MEN1 4037/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 PDE10A 2637/4885MAPT 4280/4885MEN1 4019/4885

“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.