SCHEMBL5145999

SCHEMBL5145999

Cc1ncc([N+](=O)[O-])n1CCOC=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.64
▸ CA2 P00918 5/20 0.64
▸ CA9 Q16790 5/20 0.64
▸ CA12 O43570 4/20 0.64
▸ GLA P06280 1/20 0.64
▸ LMNA P02545 4/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ THRB P10828 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ EGFR P00533 5/20 0.55
▸ ERBB2 P04626 5/20 0.55
▸ KDR P35968 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ ATM Q13315 1/20 0.52

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
SCHEMBL13849447 0.84 CA1 (0.68) CA1CA2CA9CA12GLA
SCHEMBL31018735 0.81 CA1 (0.65) CA1CA2CA9CA12GLA
SCHEMBL13004520 0.81 LMNA (0.68) CA1CA2CA9CA12GLA
SCHEMBL5143254 0.81 GLA (0.76) CA1CA2CA9CA12GLA
SCHEMBL5145990 0.80 CA1 (0.64) CA1CA2CA9CA12GLA
SCHEMBL11913948 0.80 CA1 (0.64) CA1CA2CA9CA12GLA
SCHEMBL28927348 0.80 LMNA (0.76) CA1CA2CA9CA12GLA
SCHEMBL31018745 0.80 CA1 (0.60) CA1CA2CA9CA12GLA
SCHEMBL4272926 0.79 CA2 (0.60) CA1CA2CA9CA12GLA
SCHEMBL16151836 0.79 GLA (0.78) CA1CA2CA9CA12GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2007-03-08 — — US claimed
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2007-03-08 — — 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-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS CLPP, TYR, MRPL21 CA1 4873/4885CA2 4268/4885CA9 4498/4885

“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.

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