SCHEMBL425956

SCHEMBL425956

COc1ccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)NCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.46
MARK4 Q96L34 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
F2 P00734 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL422436 0.86 ALDH1A1 (0.44) MAPTNPC1ALDH1A1LMNAGFER
SCHEMBL425955 0.85 TP53 (0.43) TP53MAPTNPC1MARK4ALDH1A1
SCHEMBL423331 0.83 TSPO (0.43) TP53MAPTALDH1A1POLBGFER
SCHEMBL428489 0.79 NR4A2 (0.44) MAPTNPC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL427756 0.78 PTGS2 (0.47) TP53MAPTNPC1ALDH1A1POLB
SCHEMBL424160 0.78 PTGS2 (0.48) TP53MAPTNPC1ALDH1A1POLB
SCHEMBL423823 0.78 GAA (0.45) MAPTALDH1A1TSHRLMNAGFER
SCHEMBL424913 0.76 NR4A2 (0.46)
SCHEMBL2994395 0.76 KDM4E (0.47) MAPTALDH1A1POLBTSHRLMNA
SCHEMBL421690 0.76 CDYL (0.43) MAPTALDH1A1RAB9ALMNA

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 6 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-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 4033/4885NPC1 1268/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TP53 886/4885MAPT 4033/4885NPC1 1268/4885

“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.