SCHEMBL9915362

SCHEMBL9915362

CCCCOc1cc(-c2nccc(C(=O)O)n2)[n+]([O-])cc1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.41
S1PR3 Q99500 1/20 0.39
WDR5 P61964 3/20 0.37
S1PR1 P21453 1/20 0.37
PTPN11 Q06124 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL9915363 0.88 CYP1A2 (0.39) S1PR3WDR5NPC1RAB9ASMN1; SMN2
SCHEMBL16747529 0.88 XDH (0.41) XDHWDR5S1PR1ALDH1A1
SCHEMBL14124903 0.82 XDH (0.54) XDHKDM4EALDH1A1
SCHEMBL9915358 0.80 S1PR3 (0.37) XDHS1PR3WDR5PTPN11KDM4E
SCHEMBL9915495 0.77 SMPD1 (0.41) S1PR3ALDH1A1
SCHEMBL14136596 0.77 XDH (0.43) XDHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL14124913 0.75 XDH (0.43) XDHALDH1A1
SCHEMBL9915473 0.72 GAA (0.42) XDHS1PR3WDR5
SCHEMBL9915354 0.72 TP53 (0.33) S1PR3
SCHEMBL16748705 0.70 TP53 (0.37) XDHS1PR3WDR5PTPN11KDM4E

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-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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 (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-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM XDH 2263/4885S1PR3 3452/4885WDR5 1512/4885

“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.