SCHEMBL4589620

SCHEMBL4589620

COc1cccc(-c2c(/C=C/C(=O)NCCN3CCOCC3)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KDM4E B2RXH2 4/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.39
SERPINE1 P05121 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38

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
SCHEMBL4589624 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4588618 0.92 SERPINE1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4588607 0.92 SERPINE1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4588609 0.91 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4588597 0.91 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3944710 0.88 ALDH1A1 (0.57) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3949921 0.86 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4588284 0.85 BRD4 (0.41) ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4588279 0.85 BRD4 (0.41) ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5152014 0.84 CYP2C9 (0.58) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4

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 ALDH1A1 235/4885CYP2C9 1878/4885CYP2C19 936/4885

“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.