SCHEMBL772131

SCHEMBL772131

O=C(O)c1ccc2c(-c3ccccc3)c3n(c2c1)CCc1ccccc1-3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.47
SRD5A1 P18405 1/20 0.47
MTNR1A P48039 9/20 0.41
MTNR1B P49286 9/20 0.41
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
FOLH1 Q04609 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TTR P02766 1/20 0.38
PTPRC P08575 1/20 0.37

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
SCHEMBL772287 0.88 SRD5A2 (0.43) SRD5A2SRD5A1MTNR1AMTNR1BKMT2A
SCHEMBL772588 0.88 MTNR1A (0.43) MTNR1AMTNR1BKMT2AKDM4EMAPT
SCHEMBL772130 0.80 PRKCA (0.53) SRD5A2SRD5A1MTNR1AMTNR1B
SCHEMBL4823190 0.79 SCN9A (0.44) KDM4ENPSR1ALDH1A1POLB
SCHEMBL4823231 0.76 ALDH1A1 (0.43) MTNR1AMTNR1BKMT2AKDM4EMAPT
SCHEMBL773872 0.75 PRKCA (0.53) SRD5A2SRD5A1MTNR1AMTNR1B
SCHEMBL792066 0.75 MTNR1A (0.47) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL4823441 0.73 FABP4 (0.36) KDM4E
SCHEMBL772512 0.71 ALDH1A1 (0.37) SRD5A2SRD5A1KMT2AKDM4EALDH1A1
SCHEMBL774883 0.68 MAPK8 (0.39) KMT2AKDM4EMAPTALDH1A1POLB

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 SRD5A2 1824/4885SRD5A1 1517/4885MTNR1A 4311/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SRD5A2 1824/4885SRD5A1 1517/4885MTNR1A 4311/4885

“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.