SCHEMBL2019674

SCHEMBL2019674

CN(c1ccc(S(C)(=O)=O)cc1)c1ncnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.35
PTGS2 P35354 4/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CSF1R P07333 3/20 0.33
EGFR P00533 2/20 0.33
PTGS1 P23219 2/20 0.33
HTT P42858 1/20 0.33
VCAM1 P19320 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL5247652 0.85 MAPT (0.47) CA1CA2CA7CA13MAPT
SCHEMBL5244192 0.84 MAPT (0.43) CA1CA2CA7CA13MAPT
SCHEMBL5244451 0.84 MAPT (0.58) MAPTLMNAMEN1KMT2ACSF1R
SCHEMBL17815794 0.81 MAPT (0.43) CA1CA2CA7CA13MAPT
SCHEMBL17815790 0.80 PRMT1 (0.43) CA1CA2CA7CA13MAPT
SCHEMBL8078419 0.76 LMNA (0.40) CA1CA2CA7CA13MAPT
SCHEMBL1254095 0.73 CA1 (0.77) CA1CA2CA7CA13
SCHEMBL9124007 0.69 ALDH1A1 (0.40) CA1CA2CA7CA13MAPT
SCHEMBL304909 0.68 CA1 (0.49) CA1CA2CA7CA13MAPT
SCHEMBL2542634 0.68 LMNA (0.43) CA1CA2CA7CA13MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 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-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, GCKR, GID4 CA1 4874/4885CA2 4073/4885CA7 4788/4885

“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.