SCHEMBL772512

SCHEMBL772512

O=C(O)c1ccc2c(-c3ccccc3)c3n(c2c1)C(O)c1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
TTR P02766 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
PTPRC P08575 2/20 0.35
DPP4 P27487 2/20 0.35
KMO O15229 1/20 0.35
PTPN1 P18031 1/20 0.35
PARP1 P09874 1/20 0.34
MAPK8 P45983 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL5927376 0.84 ABCB1 (0.36) ALDH1A1KMT2AKDM4EDPP4MAPK8
SCHEMBL5927627 0.84 KDM4E (0.40) ALDH1A1KMT2AKDM4EMAPK8
SCHEMBL774883 0.84 MAPK8 (0.39) ALDH1A1POLBKMT2ATTRKDM4E
SCHEMBL5927632 0.81 P2RY14 (0.49) POLBKMT2ASRD5A2
SCHEMBL772511 0.79 PRKCA (0.49) POLBPTPRCKMO
SCHEMBL3907053 0.76 MAPK8 (0.41) ALDH1A1POLBKMT2AKDM4EMAPK8
SCHEMBL3842628 0.75 ALDH1A1 (0.37) ALDH1A1POLBKMT2ATTRKDM4E
SCHEMBL772287 0.72 SRD5A2 (0.43) ALDH1A1POLBKMT2ATTRPTPRC
SCHEMBL772131 0.71 SRD5A2 (0.47) ALDH1A1POLBKMT2ATTRKDM4E
SCHEMBL11893100 0.69 PRKCA (0.42)

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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

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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885POLB 77/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885POLB 77/4885KMT2A 1865/4885

“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.