SCHEMBL14164331

SCHEMBL14164331

Cc1nc([N+](=O)[O-])n(C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
GRK5 P34947 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL12207823 0.80 LMNA (0.31) LMNASMN1; SMN2ALDH1A1HTTTDP1
SCHEMBL4960221 0.76 PKM (0.37) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL27631534 0.73 PKM (0.35) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL12291298 0.68 SMN1; SMN2 (0.35) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14019038 0.67 PKM (0.58) PKMLMNAALDH1A1TDP1CHEK1
SCHEMBL21719313 0.66
SCHEMBL12391234 0.65 ALDH1A1 (0.34) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL12207829 0.63 ENO1 (0.38) LMNASMN1; SMN2ALDH1A1HTTCRHBP
SCHEMBL11350079 0.63 PKM (0.35) PKMLMNASMN1; SMN2ALDH1A1CRHBP
SCHEMBL12208209 0.63 HTT (0.33) LMNASMN1; SMN2ALDH1A1HTTTDP1

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-20080132458-A1 Hypoxia-Activated Anti-Cancer Agents THRESHOLD PHARMACEUTICALS, INC. (US) 2008-06-05 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-20080132458-A1 Hypoxia-Activated Anti-Cancer Agents HIF1AN, HIF1A, HYOU1 PKM 2655/4885LMNA 1197/4885SMN1; SMN2 4611/4885

“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.