SCHEMBL5576505

SCHEMBL5576505

O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(CNC2CCCc3ccc(-c4ccccc4)nc32)cc1)Cc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
KCNA5 P22460 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
CXCR3 P49682 6/20 0.37
PTGER2 P43116 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CXCR4 P61073 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3312846 0.89 HDAC6 (0.48) PTPN1KCNA5KDM4EALDH1A1HDAC6
SCHEMBL3314317 0.87 HDAC6 (0.46) PTPN1KCNA5KDM4EALDH1A1HDAC6
SCHEMBL3313097 0.82 HDAC6 (0.42) PTPN1KCNA5KDM4EALDH1A1HDAC6
SCHEMBL3314915 0.82 HDAC6 (0.42) PTPN1KCNA5KDM4EALDH1A1HDAC6
SCHEMBL30338466 0.81 HDAC1 (0.43) KDM4EALDH1A1HDAC6HDAC1LMNA
SCHEMBL4069997 0.80 PDE4A (0.42) PTPN1KCNA5ALDH1A1HDAC6CXCR3
SCHEMBL4250911 0.78 CXCR4 (0.47) CXCR4
SCHEMBL29824000 0.77 CXCR4 (0.46) KCNA5KDM4EALDH1A1HDAC6HDAC1
SCHEMBL1872787 0.77 CXCR4 (0.46) KCNA5KDM4EALDH1A1HDAC6HDAC1
SCHEMBL30338365 0.76 HDAC6 (0.51) KCNA5HDAC6HDAC1CXCR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 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-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 PTPN1 1129/4885KCNA5 1862/4885KDM4E 4473/4885

“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.