SCHEMBL9915490

SCHEMBL9915490

CCCCOc1cc(-c2cc(C(=O)OCC)no2)[n+]([O-])cc1OCCCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
SMPD1 P17405 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ACR P10323 1/20 0.37
POLB P06746 1/20 0.36
CNR2 P34972 6/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
FAAH O00519 2/20 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
SCHEMBL16748690 0.88 MAPT (0.41) MAPTSMPD1ALDH1A1L3MBTL1ACR
SCHEMBL9915495 0.88 SMPD1 (0.41) MAPTSMPD1ALDH1A1CNR2FAAH
SCHEMBL14124896 0.83 MAPT (0.48) MAPTSMPD1ALDH1A1L3MBTL1ACR
SCHEMBL9915363 0.79 CYP1A2 (0.39) MAPTL3MBTL1CNR2TSHR
SCHEMBL9915483 0.77 MAPT (0.47) MAPTSMPD1ALDH1A1L3MBTL1ACR
SCHEMBL16748687 0.75 HPGD (0.43) MAPTSMPD1ALDH1A1CNR2FAAH
SCHEMBL9915470 0.74 SMPD1 (0.37) MAPTSMPD1TP53TSHR
SCHEMBL11994109 0.73 SMPD1 (0.43) MAPTSMPD1ALDH1A1L3MBTL1ACR
SCHEMBL8214120 0.73 MAPT (0.47) MAPTSMPD1ALDH1A1L3MBTL1ACR
SCHEMBL9915473 0.73 GAA (0.42) SMPD1TP53TSHR

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 MAPT 3674/4885SMPD1 2714/4885ALDH1A1 1829/4885

“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.