SCHEMBL4903083

SCHEMBL4903083

CN(C)Cc1ncccc1Oc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.43
GFER P55789 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIN1 Q13526 6/20 0.39
S1PR4 O95977 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR2 P41597 1/20 0.37
CCR4 P51679 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL4910462 0.82 ALDH1A1 (0.55) ALDH1A1MAPTGFERCTDSP1L3MBTL1
SCHEMBL4912851 0.81 CCR2 (0.54) ALDH1A1MAPTGFERCTDSP1L3MBTL1
SCHEMBL4910086 0.80 SLC6A4 (0.38) CYP3A4CYP2C9CYP2C19CCR2CCR4
SCHEMBL4910398 0.77 ALDH1A1 (0.49) ALDH1A1MAPTGFERCTDSP1L3MBTL1
SCHEMBL307028 0.75 PIN1 (0.65) ALDH1A1MAPTGFERPIN1MEN1
SCHEMBL4911112 0.73 LMNA (0.55) ALDH1A1MAPTPIN1MEN1KMT2A
SCHEMBL3159397 0.73 ALDH1A1 (0.46) ALDH1A1MAPTGFERPIN1ATM
SCHEMBL4911596 0.73 CCR2 (0.74) CYP3A4CYP2C9CYP2C19CCR2CCR4
SCHEMBL17293088 0.72 CHRNB2 (0.48) ALDH1A1MAPTPIN1GAANPSR1
SCHEMBL4915576 0.72 CCR2 (0.53) ALDH1A1MAPTGFERL3MBTL1PIN1

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 1334/4885MAPT 3959/4885GFER 2037/4885

“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.