SCHEMBL4587258

SCHEMBL4587258

COc1cccc(-c2c(/C=C/C(=O)Nc3ccncc3)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.49
AURKB Q96GD4 5/20 0.49
LMNA P02545 3/20 0.46
NAMPT P43490 3/20 0.45
TRPV1 Q8NER1 2/20 0.44
BRD4 O60885 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SERPINE1 P05121 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 2/20 0.40

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
SCHEMBL4587266 1.00 AURKA (0.49) AURKAAURKBLMNANAMPTTRPV1
SCHEMBL4589154 0.90 AURKA (0.47) AURKAAURKBLMNANAMPTBRD4
SCHEMBL4589158 0.90 AURKA (0.47) AURKAAURKBLMNANAMPTBRD4
SCHEMBL27742118 0.86 BRD4 (0.46) AURKAAURKBLMNANAMPTTRPV1
SCHEMBL4588279 0.83 BRD4 (0.41) AURKAAURKBLMNATRPV1BRD4
SCHEMBL4588284 0.83 BRD4 (0.41) AURKAAURKBLMNATRPV1BRD4
SCHEMBL4589624 0.81 ALDH1A1 (0.51) LMNABRD4KDM4EMAPTHPGD
SCHEMBL4589620 0.81 ALDH1A1 (0.51) LMNABRD4KDM4EMAPTHPGD
SCHEMBL3950696 0.79 MEN1 (0.53) AURKAAURKBLMNABRD4POLB
SCHEMBL4588386 0.78 BRD4 (0.56) AURKAAURKBBRD4POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001846-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
US-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 US claimed
US-20070232605-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-04 US claimed
WO-2007107383-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO claimed
EP-2001846-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed
US-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 US disclosed
US-20070232605-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-04 US disclosed
WO-2007107383-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO 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 (1 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-20070232605-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCYAP1R1 AURKA 3236/4885AURKB 2727/4885LMNA 3483/4885

“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.