SCHEMBL4873214

SCHEMBL4873214

Cn1c([N+](=O)[O-])cnc1COC(=O)Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.75
▸ CYP2C19 P33261 1/20 0.50
▸ GLA P06280 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ GUSB P08236 1/20 0.38
▸ EGFR P00533 5/20 0.38
▸ ERBB2 P04626 5/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37

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 0.87 LMNA (0.77) LMNACYP2C19GLAALDH1A1MAPK1
Ronidazole SCHEMBL635714 0.86 LMNA (1.00) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL13313842 0.84 LMNA (0.73) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL15752503 0.82 LMNA (0.68) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL7557867 0.81 LMNA (0.64) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL31018738 0.80 LMNA (0.67) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL31018740 0.80 LMNA (0.67) LMNACYP2C19GLAALDH1A1MAPK1
SCHEMBL11641368 0.80 LMNA (0.67) LMNACYP2C19GLAALDH1A1EGFR
SCHEMBL11637096 0.79 LMNA (0.65) LMNACYP2C19ALDH1A1MAPK1NPC1
SCHEMBL31018737 0.78 LMNA (0.63) LMNACYP2C19GLAALDH1A1MAPK1

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-20080145372-A1 Bioreductively-Activated Prodrugs ANGIOGENE, PHARMACEUTICALS LIMITED (GB) 2008-06-19 — — 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-20080145372-A1 Bioreductively-Activated Prodrugs NME2, PNP, NUDT1 LMNA 1716/4885CYP2C19 35/4885GLA 1409/4885

“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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