SCHEMBL4914975

SCHEMBL4914975

N#Cc1ccc(Oc2ncc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.56
VCAM1 P19320 3/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
APEX1 P27695 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
PIN1 Q13526 4/20 0.43
MAPK1 P28482 1/20 0.42
PDE7A Q13946 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
CCR2 P41597 1/20 0.40
CYP19A1 P11511 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL4912586 0.86 PTGER4 (0.48) MERTKVCAM1LMNACYP2C9TSHR
SCHEMBL10499411 0.83 MAPK1 (0.62) MERTKLMNACYP2C9TSHRAPEX1
SCHEMBL307928 0.83 LMNA (0.50) MERTKLMNACYP2C9TSHRAPEX1
SCHEMBL306660 0.82 PIN1 (0.62) MERTKLMNACYP2C9TSHRAPEX1
SCHEMBL11013133 0.78 ALDH1A1 (0.51) MERTKLMNACYP2C9TSHRAPEX1
SCHEMBL2969404 0.77 MERTK (0.71) MERTKVCAM1LMNASMN1; SMN2MAPT
SCHEMBL850903 0.77 MEN1 (0.64) MERTKLMNAMAPTMAPK1MEN1
SCHEMBL4915024 0.77 CYP2C9 (0.47) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL4912414 0.77 CYP2C9 (0.53) MERTKLMNACYP2C9TSHRAPEX1
SCHEMBL16827312 0.77 LMNA (0.53) LMNACYP2C9TSHRAPEX1SMN1; SMN2

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 MERTK 793/4885VCAM1 336/4885LMNA 4659/4885

“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.