SCHEMBL16353283

SCHEMBL16353283

O=C(Cl)CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 1/20 0.51
TYMP P19971 3/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
OPRK1 P41145 1/20 0.47
KMT2A Q03164 1/20 0.47
NOS1 P29475 1/20 0.38
CCR10 P46092 2/20 0.37
ESR1 P03372 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL16319226 0.86 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL16353277 0.84 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL4398512 0.84 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL20902568 0.84 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL11390072 0.83 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL16318735 0.81 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL920293 0.80 LMNA (0.60) CA12CA1CA2CA9LMNA
SCHEMBL8431954 0.80 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL11111165 0.80 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL13941939 0.79 CA12 (0.50) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
EP-2816036-A1 PRODRUG USING NITROIMIDAZOLE University of Tsukuba (JP) 2014-12-24 EP 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-20140378673-A1 PRODRUG USING NITROIMIDAZOLE HIF1AN, HIF1A, PAICS CA12 450/4885CA1 73/4885CA2 117/4885

“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.