SCHEMBL5429675

SCHEMBL5429675

O=[N+]([O-])c1cc(CNS(=O)(=O)c2ccccc2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
CYP19A1 P11511 5/20 0.56
VCAM1 P19320 2/20 0.56
KEAP1 Q14145 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
SLC12A2 P55011 1/20 0.50
SLC12A5 Q9H2X9 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL5722148 0.80 LMNA (0.50) LMNACYP19A1VCAM1CYP2C19HTT
SCHEMBL26547989 0.78 KDM4E (0.60) LMNACYP19A1VCAM1ALDH1A1MAPT
SCHEMBL4661775 0.77 CA2 (0.76) LMNACYP19A1VCAM1KEAP1CA1
SCHEMBL4968417 0.77 FFAR4 (0.71) LMNAVCAM1KEAP1CA1CA2
SCHEMBL4661602 0.77 CYP19A1 (0.82) CYP19A1VCAM1KEAP1CA1CA2
SCHEMBL4661669 0.75 CA12 (0.66) LMNACYP19A1VCAM1KEAP1CA12
SCHEMBL27898111 0.74 VCAM1 (0.83) LMNAVCAM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28557716 0.74 ALDH1A1 (0.59) LMNAVCAM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4663044 0.74 KEAP1 (0.76) LMNACYP19A1KEAP1CA1CA2
SCHEMBL2857133 0.73 LMNA (0.52) LMNAVCAM1CA1ALDH1A1MAPT

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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 LMNA 1900/4885CYP19A1 1100/4885VCAM1 4688/4885

“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.