SCHEMBL425955

SCHEMBL425955

COc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)NCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
MARK4 Q96L34 1/20 0.41
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GFER P55789 1/20 0.40
HCRTR1 O43613 1/20 0.39
F2 P00734 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL422435 0.86 ALDH1A1 (0.37) MAPTKMT2AMEN1ALDH1A1
SCHEMBL425956 0.85 TP53 (0.47) TP53MAPTMARK4NPC1RAB9A
SCHEMBL13211519 0.85 F2 (0.37) TP53NPC1RAB9APOLBF2
SCHEMBL423330 0.83 GRIN1 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL428488 0.82 CSNK1E (0.40) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL424159 0.80 GRIN1 (0.46) TP53NPC1RAB9APOLBALDH1A1
Hydrochloric Acid SCHEMBL427755 0.80 PTGS2 (0.44) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL424912 0.79 NR4A2 (0.41) KMT2A
SCHEMBL423822 0.79 ACHE (0.41) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL13211483 0.79 FABP4 (0.38) POLBALDH1A1

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
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-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-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-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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US 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

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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI TP53 886/4885MAPT 4033/4885MARK4 3312/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TP53 886/4885MAPT 4033/4885MARK4 3312/4885

“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.