SCHEMBL11913948

SCHEMBL11913948

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

nearest known ligand 0.64

Predicted protein targets (top 18)

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
▸ MAPK1 P28482 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ THRB P10828 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ ATM Q13315 1/20 0.59
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KDR P35968 1/20 0.54
▸ EGFR P00533 4/20 0.54
▸ ERBB2 P04626 4/20 0.54
▸ MAPT P10636 1/20 0.53
▸ CHRM1 P11229 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
SCHEMBL1288179 0.81 CA1 (0.55) CA1CA2CA9CA12GLA
SCHEMBL5145999 0.80 CA1 (0.64) CA1CA2CA9CA12GLA
SCHEMBL5145990 0.80 CA1 (0.64) CA1CA2CA9CA12GLA
SCHEMBL28927348 0.80 LMNA (0.76) CA1CA2CA9CA12GLA
SCHEMBL25914166 0.79 GLA (0.65) CA1CA2CA9CA12GLA
SCHEMBL29196466 0.79 LMNA (0.74) CA1CA2CA9CA12GLA
SCHEMBL16151836 0.79 GLA (0.78) CA1CA2CA9CA12GLA
SCHEMBL677158 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 — — US disclosed
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 — — 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 CA1 1413/4885CA2 1485/4885CA9 1127/4885

“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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