SCHEMBL2172241

SCHEMBL2172241

COc1ccc(Cn2nc(N(C=O)OC(C)(C)C)cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 2/20 0.35
SNCA P37840 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1H O95180 2/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL2172802 0.84 LMNA (0.44) LMNASMN1; SMN2KMT2AALDH1A1CACNA1H
SCHEMBL2173221 0.80 LMNA (0.40) LMNASMN1; SMN2MEN1KMT2APDE4B
SCHEMBL2175266 0.73 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2172233 0.72 CACNA1H (0.46) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2175446 0.69 PDGFRB (0.54)
SCHEMBL2177475 0.63 LMNA (0.43) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7345064 0.61 SIGMAR1 (0.51) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18177869 0.60 KDM4E (0.66) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30486002 0.59 LMNA (0.52) LMNASMN1; SMN2KMT2APDE4BPDE4D
Propionaldehyde SCHEMBL28103120 0.58 CYP19A1 (0.59) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 LMNA 1122/4885SMN1; SMN2 2298/4885MEN1 616/4885

“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.