SCHEMBL4906324

SCHEMBL4906324

CN(C)CCN(C)C(=O)COc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.37
GAA P10253 1/20 0.37
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP7 Q93009 2/20 0.35
USP47 Q96K76 2/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL19171745 0.87 STAT3 (0.39) ALDH1A1NPSR1KDM4EGAALMNA
SCHEMBL17293088 0.81 CHRNB2 (0.48) ALDH1A1NPSR1KDM4EGAAUSP7
SCHEMBL4916249 0.81 HRH4 (0.37) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL17035200 0.77 MAPT (0.42) ALDH1A1S1PR4LMNASMN1; SMN2MAPT
SCHEMBL16322862 0.72 MAPT (0.39) ALDH1A1LMNAUSP7USP47POLB
SCHEMBL4906310 0.71 CCR2 (0.57)
SCHEMBL8514116 0.71 PIN1 (0.44) ALDH1A1NPSR1S1PR4LMNAS1PR1
SCHEMBL18839589 0.71 PLAU (0.41) ALDH1A1S1PR4LMNAPOLBMAPT
SCHEMBL31251039 0.70 PIN1 (0.38) ALDH1A1KDM4ES1PR4LMNASMN1; SMN2
SCHEMBL31251103 0.70 PIN1 (0.38) ALDH1A1KDM4ES1PR4SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors CCR2, CCR1, CCRL2 ALDH1A1 1334/4885NPSR1 125/4885KDM4E 4528/4885

“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.