SCHEMBL772287

SCHEMBL772287

O=C(O)c1ccc2c(-c3ccccc3)c3n(c2c1)Cc1ccccc1-3

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.43
SRD5A1 P18405 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TTR P02766 1/20 0.39
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
PTPRC P08575 2/20 0.38
FOLH1 Q04609 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TBXA2R P21731 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL772131 0.88 SRD5A2 (0.47) SRD5A2SRD5A1ALDH1A1KMT2APOLB
SCHEMBL4823231 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMTNR1AMTNR1BMEN1
SCHEMBL772286 0.79 PRKCA (0.54) SRD5A2SRD5A1MTNR1AMTNR1B
SCHEMBL772588 0.76 MTNR1A (0.43) ALDH1A1KMT2AMTNR1AMTNR1BMEN1
SCHEMBL5312887 0.76 ALDH1A1 (0.38) SRD5A2SRD5A1ALDH1A1KMT2APOLB
SCHEMBL4823190 0.73 SCN9A (0.44) ALDH1A1POLBHPGDFABP4
SCHEMBL772512 0.72 ALDH1A1 (0.37) SRD5A2SRD5A1ALDH1A1KMT2APOLB
SCHEMBL2495824 0.71 PARP1 (0.33) ALDH1A1FABP4
SCHEMBL4826803 0.70 PRKCA (0.51) SRD5A2SRD5A1KMT2APOLBMTNR1A
SCHEMBL4823441 0.70 FABP4 (0.36) FABP4

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 10 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-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US 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 (4 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 1517/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SRD5A2 1824/4885SRD5A1 1517/4885ALDH1A1 750/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SRD5A2 1662/4885SRD5A1 990/4885ALDH1A1 920/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SRD5A2 1662/4885SRD5A1 990/4885ALDH1A1 920/4885

“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.