SCHEMBL423145

SCHEMBL423145

[CH2]C(=O)c1sc(C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL286332 0.79 ALDH1A1 (0.63) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
SCHEMBL211358 0.79 RXFP1 (0.50) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
SCHEMBL3344131 0.77 CNR1 (0.47) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
SCHEMBL1477812 0.77 RAB9A (0.47) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
Bromide SCHEMBL6121613 0.77 SMN1; SMN2 (0.49) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
Hydrochloric Acid SCHEMBL9528992 0.77 ALDH1A1 (0.61) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5012066 0.76 RAB9A (0.46) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
SCHEMBL13273228 0.74 CASP3 (0.49) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
SCHEMBL14260717 0.74 ALDH1A1 (0.57) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2
SCHEMBL10049913 0.74 NPC1 (0.54) RAB9ARECQLL3MBTL1CNR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (5 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 RAB9A 2410/4885RECQL 3596/4885L3MBTL1 4435/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI RAB9A 1530/4885RECQL 2765/4885L3MBTL1 4165/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI RAB9A 1530/4885RECQL 2765/4885L3MBTL1 4165/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 RAB9A 3278/4885RECQL 3282/4885L3MBTL1 3931/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 RAB9A 2410/4885RECQL 3596/4885L3MBTL1 4435/4885

“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.