SCHEMBL5113355

SCHEMBL5113355

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 4/20 0.33
BCL2 P10415 2/20 0.33
MCL1 Q07820 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
METAP1 P53582 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP2 O95551 1/20 0.31
PTP4A3 O75365 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
SCHEMBL14098067 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL5103552 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL7109725 0.81 ALDH1A1 (0.58) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL14098075 0.80 ALDH1A1 (0.36) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL14138452 0.80 ALDH1A1 (0.36) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL14098170 0.80 ESR1 (0.43) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL14098169 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL14098073 0.77 ALDH1A1 (0.47) ALDH1A1LMNAHPGDBCL2MCL1
SCHEMBL14098177 0.76 ALOX5 (0.40) ALDH1A1LMNAHPGDMAOAMAOB
SCHEMBL14098162 0.76 ERN1 (0.40) ALDH1A1LMNAESR1ESR2

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.