SCHEMBL548028

SCHEMBL548028

COC(=O)C(=[N+]=[N-])c1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.53
PTGES O14684 1/20 0.50
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
CCR5 P51681 1/20 0.45
FOLH1 Q04609 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL316291 0.81 SGMS2 (0.53) LMNAALDH1A1
SCHEMBL6492975 0.80 LRRK2 (0.60) LRRK2POLBLMNAUSP2CCR5
SCHEMBL8337852 0.79 PTGES (0.59) LRRK2PTGESCCR5FOLH1
SCHEMBL5431545 0.77 LRRK2 (0.63) LRRK2POLBLMNAUSP2CCR5
SCHEMBL384896 0.75 FOLH1 (0.68) LRRK2PTGESPOLBLMNAFOLH1
SCHEMBL547302 0.75 CCR5 (0.54) LRRK2PTGESLMNAUSP2CCR5
SCHEMBL1646591 0.75 LRRK2 (0.61) LRRK2POLBCCR5FOLH1
SCHEMBL30591972 0.74 PTGDR2 (0.67) LRRK2POLBLMNAUSP2FOLH1
SCHEMBL6452235 0.74 PTGDR2 (0.67) LRRK2POLBLMNAUSP2FOLH1
SCHEMBL5927404 0.73 ABCG2 (0.59) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110601-B2 Compound, α1 adrenergic receptor antagonistic agent, and composition SUNTORY HOLDINGS LIMITED (JP) 2012-02-07 US disclosed
US-8110601-B2 Compound, α1 adrenergic receptor antagonistic agent, and composition SUNTORY HOLDINGS LIMITED (JP) 2012-02-07 US disclosed
US-20100004328-A1 COMPOUND, Alpha1 ADRENERGIC RECEPTOR ANTAGONISTIC AGENT, AND COMPOSITION SUNTORY HOLDING LIMITED (JP) 2010-01-07 US disclosed
US-20100004328-A1 COMPOUND, Alpha1 ADRENERGIC RECEPTOR ANTAGONISTIC AGENT, AND COMPOSITION SUNTORY HOLDING LIMITED (JP) 2010-01-07 US disclosed
EP-2128148-A1 COMPOUND, ALPHA 1 ADRENALINE RECEPTOR ANTAGONIST, AND COMPOSITION Suntory Holdings Limited (JP) 2009-12-02 EP disclosed
JP-2008189554-A METHOD FOR SYNTHESIZING BENZOFURANCARBOXAMIDE DERIVATIVE SUNTORY LTD 2008-08-21 JP disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US 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-20100004328-A1 COMPOUND, Alpha1 ADRENERGIC RECEPTOR ANTAGONISTIC AGENT, AND COMPOSITION ADRB1, ADRA1A, ADRA1D LRRK2 997/4885PTGES 1735/4885POLB 2702/4885

“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.