SCHEMBL9915307

SCHEMBL9915307

CCCCOc1cc(CN2C(=O)c3ccccc3C2=O)[n+]([O-])cc1OCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
AGTR1 P30556 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTK2B Q14289 1/20 0.38

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
SCHEMBL15279029 0.86 KMT2A (0.41) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL9915426 0.78 MAPT (0.50) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL9915312 0.74 ALDH1A1 (0.47) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL9915308 0.72 CYP1A2 (0.38) TSHRL3MBTL1SMN1; SMN2
SCHEMBL9632462 0.71 RAB9A (0.61) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL15923220 0.69 MAPT (0.62) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL8298007 0.69 RAB9A (0.79) RAB9AHPGDNPC1L3MBTL1NPSR1
SCHEMBL30036364 0.69 KMT2A (0.46) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL15924331 0.69 RAB9A (0.58) RAB9AHPGDTSHRNPC1MAPK1
SCHEMBL15922820 0.69 RAB9A (0.59) RAB9AHPGDTSHRNPC1MAPK1

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 RAB9A 2614/4885HPGD 2345/4885TSHR 4478/4885

“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.