SCHEMBL6077975

SCHEMBL6077975

CC(C(=O)O)N(N=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
ADAMTS4 O75173 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 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
SCHEMBL6077977 1.00 ALDH1A1 (0.43) ALDH1A1ALOX15LMNATP53SMN1; SMN2
SCHEMBL11355172 0.79 ALDH1A1 (0.50) ALDH1A1ALOX15LMNATP53SMN1; SMN2
SCHEMBL15155565 0.79 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL22748981 0.79 NPC1 (0.38) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL30847023 0.79 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL1059953 0.79 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL502831 0.75 PTGS2 (0.45) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL157605 0.75 PTGS2 (0.45) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL14463144 0.75 NPSR1 (0.44) ALDH1A1ALOX15LMNATP53SMN1; SMN2
SCHEMBL93387 0.75 PTGS2 (0.45) ALDH1A1LMNATP53SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO 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 (2 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 ALDH1A1 308/4885ALOX15 3720/4885LMNA 2604/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 ALDH1A1 343/4885ALOX15 3777/4885LMNA 2380/4885

“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.