SCHEMBL5113545

SCHEMBL5113545

O=C1Cc2ccc(-c3ccco3)cc2Sc2cc(O)cc(O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.41
ERN1 O75460 2/20 0.40
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
PIM1 P11309 1/20 0.34
PGR P06401 1/20 0.34
SRD5A1 P18405 2/20 0.34
KEAP1 Q14145 1/20 0.33
MCL1 Q07820 2/20 0.33
BCL2 P10415 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14098165 0.91 TDP2 (0.41) TDP2ERN1PARP1PARP2ALDH1A1
SCHEMBL14098170 0.82 ESR1 (0.43) TDP2ALDH1A1LMNAMCL1BCL2
SCHEMBL14098169 0.79 ALDH1A1 (0.39) TDP2PARP1PARP2ALDH1A1LMNA
SCHEMBL14098177 0.78 ALOX5 (0.40) TDP2ALDH1A1LMNAPGRESR1
SCHEMBL14098162 0.78 ERN1 (0.40) ERN1PARP1PARP2ALDH1A1LMNA
SCHEMBL14098147 0.78 TDP2 (0.42) TDP2ERN1PARP1PARP2ALDH1A1
SCHEMBL5113427 0.78 ERN1 (0.39) TDP2ERN1PARP1PARP2ALDH1A1
SCHEMBL14098171 0.77 ALDH1A1 (0.41) ALDH1A1LMNAMCL1BCL2ESR1
SCHEMBL14138951 0.76 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL7109725 0.76 ALDH1A1 (0.58) ALDH1A1LMNAMCL1BCL2ESR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
EP-1182200-B1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF NIPPON SUISAN KAISHA LTD (JP) 2005-08-31 EP disclosed
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. 2004-07-01 US disclosed
US-6700013-B2 O-BROMOPHENYLACETIC ACID DERIVATIVE CHEMICAL INTERMEDIATE; SMOOTH MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 2004-03-02 US disclosed
US-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD., A JAPAN CORPORATION 2003-11-27 US disclosed
US-6602898-B1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. (JP) 2003-08-05 US disclosed
EP-1182200-A9 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-05-22 EP disclosed
EP-1182200-A1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-02-27 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-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 TDP2 3386/4885ERN1 2144/4885PARP1 1098/4885
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 TDP2 3386/4885ERN1 2144/4885PARP1 1098/4885

“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.