SCHEMBL5103552

SCHEMBL5103552

O=C1Cc2ccc(I)cc2Sc2cc(O)cc(O)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
TDP2 O95551 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5113355 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL7109725 0.81 ALDH1A1 (0.58) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL14098075 0.80 ALDH1A1 (0.36) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL14138452 0.80 ALDH1A1 (0.36) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL14098170 0.80 ESR1 (0.43) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL14098169 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL14098162 0.76 ERN1 (0.40) ALDH1A1LMNAESR1ESR2
SCHEMBL14098177 0.76 ALOX5 (0.40) ALDH1A1LMNAHPGDESR1ESR2
SCHEMBL14098171 0.75 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4EBCL2
SCHEMBL5113545 0.75 TDP2 (0.41) ALDH1A1LMNAHPGDKDM4EBCL2

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-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
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 ALDH1A1 899/4885LMNA 1326/4885HPGD 540/4885
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 ALDH1A1 899/4885LMNA 1326/4885HPGD 540/4885

“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.