SCHEMBL13313842

SCHEMBL13313842

COC(=O)OCc1ncc([N+](=O)[O-])n1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.73
▸ CYP2C19 P33261 1/20 0.49
▸ GLA P06280 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ EGFR P00533 5/20 0.36
▸ ERBB2 P04626 5/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11735334 0.86 LMNA (0.77) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL4873214 0.84 LMNA (0.75) LMNACYP2C19GLAALDH1A1MAPK1
Ronidazole SCHEMBL635714 0.84 LMNA (1.00) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL31018740 0.82 LMNA (0.67) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL31018738 0.82 LMNA (0.67) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL7556049 0.81 LMNA (0.62) LMNACYP2C19ALDH1A1MAPTKMT2A
SCHEMBL15752503 0.81 LMNA (0.68) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL11641368 0.79 LMNA (0.67) LMNACYP2C19GLAALDH1A1MAPT
SCHEMBL11493231 0.78 LMNA (0.58) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL11637096 0.78 LMNA (0.65) LMNACYP2C19ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980907-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 — — US disclosed
US-8889635-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 — — US disclosed
US-20140128327-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-08 — — US disclosed
US-20100160299-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-06-24 — — 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 (2 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-20140128327-A1 DENDRIMER CONJUGATES CD44, DDOST, ADGRE5 LMNA 3032/4885CYP2C19 4289/4885GLA 2986/4885
US-20100160299-A1 DENDRIMER CONJUGATES CD44, DDOST, ADGRE5 LMNA 3032/4885CYP2C19 4289/4885GLA 2986/4885

“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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