SCHEMBL772588

SCHEMBL772588

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.43
MTNR1B P49286 12/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 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
SCHEMBL4823231 0.89 ALDH1A1 (0.43) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL772131 0.88 SRD5A2 (0.47) MTNR1AMTNR1BKMT2AKDM4EMAPT
SCHEMBL772587 0.81 SCN9A (0.47) MTNR1AMTNR1BNPSR1ALDH1A1
SCHEMBL772287 0.76 SRD5A2 (0.43) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL771196 0.76 SCN9A (0.49) MTNR1AMTNR1BKMT2AKDM4ENPSR1
SCHEMBL3242890 0.74 MEN1 (0.42) KMT2AMEN1KDM4EMAPTNPSR1
SCHEMBL792066 0.73 MTNR1A (0.47) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL3080315 0.71 SCN9A (0.43) MTNR1AMTNR1BKDM4ENPSR1ALDH1A1
SCHEMBL9338243 0.71 GABRG2 (0.53) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL146859 0.69 SCN9A (0.66) ALDH1A1GLAHPGDTDP1L3MBTL1

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 MTNR1A 4311/4885MTNR1B 4142/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MTNR1A 4311/4885MTNR1B 4142/4885KMT2A 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.