SCHEMBL429565

SCHEMBL429565

[CH2]CNC(=O)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
HDAC1 Q13547 1/20 0.62
TSHR P16473 2/20 0.62
NPC1 O15118 8/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.54
CES2 O00748 1/20 0.52

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
SCHEMBL7503385 0.82 KDM4E (0.70) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL2199589 0.81 GAA (0.69) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL16181983 0.81 KDM4E (0.68) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL1520699 0.80 KDM4E (0.62) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL4578943 0.79 KDM4E (0.77) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL4578939 0.79 KDM4E (0.77) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL7394648 0.79 KDM4E (0.66) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL6127192 0.79 KDM4E (0.89) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL1222245 0.79 KDM4E (0.66) KDM4EHDAC1TSHRNPC1RAB9A
SCHEMBL21479628 0.79 KDM4E (0.60) KDM4EHDAC1TSHRNPC1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-5854407-A 15-hydroxy 6,9-hemiacetal erythromycin compounds TAKEDA CHEMICAL CORPORATION (JP) 1998-12-29 US disclosed
EP-0561413-B1 Erythromycin deriatives, preparation and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-05 EP disclosed
US-5470961-A 14 and/or 15-hydroxy 6,9 hemiacetal erythromycin derivatives TAKEDA CHEMICAL IND., LTD. (JP) 1995-11-28 US disclosed
EP-0561413-A1 Erythromycin deriatives, preparation and use thereof Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5175150-A Stimulating digective contraction KITASATO, KENKYUSHO (JP) 1992-12-29 US disclosed
US-5008249-A Administering anhydroerythromycin derivative KITASATO KENKYUSHO (JP) 1991-04-16 US disclosed
US-4948782-A A method of promoting the growth of domestic animals with erythromycin derivative containing composition KITASATO KENKYUSHO (JP) 1990-08-14 US disclosed
EP-0215355-A2 Erythromycin derivative and process for preparing the same KITASATO KENKYUSHO (JP) 1987-03-25 EP disclosed
EP-0213617-A2 Digestive tract contractile motion stimulant KITASATO KENKYUSHO (JP) 1987-03-11 EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 KDM4E 2725/4885HDAC1 182/4885TSHR 4089/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI KDM4E 1520/4885HDAC1 316/4885TSHR 4648/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI KDM4E 1520/4885HDAC1 316/4885TSHR 4648/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KDM4E 2725/4885HDAC1 182/4885TSHR 4089/4885

“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.