SCHEMBL2172233

SCHEMBL2172233

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.46
PTGER1 P34995 2/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2172795 0.84 CACNA1H (0.47) CACNA1HPTGER1CYP2C9LMNAALDH1A1
SCHEMBL2173221 0.80 LMNA (0.40) CACNA1HLMNAALDH1A1MAPTCASP7
SCHEMBL2175266 0.77 LMNA (0.47) PTGER1LMNAALDH1A1MAPTCASP7
SCHEMBL2172241 0.72 LMNA (0.41) CACNA1HLMNAALDH1A1MAPTCASP7
SCHEMBL2175440 0.72 KDR (0.56) CACNA1H
SCHEMBL31510954 0.67 MKNK2 (0.43) CACNA1HPTGER1CYP2C9LMNAALDH1A1
SCHEMBL26931352 0.67 PTGER1 (0.53) PTGER1CYP2C9LMNAMAPTKMT2A
SCHEMBL30660590 0.67 PTGER1 (0.53) PTGER1CYP2C9LMNAMAPTKMT2A
SCHEMBL29276691 0.66 PTGER1 (0.52) PTGER1CYP2C9LMNAALDH1A1MAPT
SCHEMBL13832427 0.66 ALDH1A1 (0.69) LMNAALDH1A1MAPTMEN1KMT2A

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 CACNA1H 2235/4885PTGER1 1066/4885CYP2C9 2320/4885

“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.