SCHEMBL7243528

SCHEMBL7243528

Cc1ncc([N+](=O)[O-])n1CCSNC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 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
▸ GLA P06280 1/20 0.56
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ CA9 Q16790 4/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CA12 O43570 3/20 0.53
▸ ATM Q13315 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ EGFR P00533 2/20 0.49
▸ ERBB2 P04626 2/20 0.49
▸ TYMS P04818 2/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL15597323 0.81 LMNA (0.65) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL5332268 0.80 LMNA (0.67) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL3765189 0.79 LMNA (0.91) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL5309855 0.79 LMNA (0.70) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL8457557 0.79 LMNA (0.97) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL9780864 0.78 LMNA (0.64) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL677157 0.78 LMNA (0.88) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL9482744 0.77 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL5313560 0.77 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL9455119 0.77 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR

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-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 — — 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-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA LMNA 3346/4885MAPK1 3675/4885ALDH1A1 776/4885

“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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