SCHEMBL9915308

SCHEMBL9915308

CCCCOc1cc(CN)[n+]([O-])cc1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TLR8 Q9NR97 2/20 0.34
CSNK2A1 P68400 2/20 0.33
S1PR3 Q99500 1/20 0.33
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL15279027 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL10976072 0.77 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL9915307 0.72 RAB9A (0.43) SMN1; SMN2TSHRL3MBTL1
SCHEMBL9915431 0.72 NOTUM (0.36) CYP1A2CYP2C9CYP2C19CA12CA1
SCHEMBL13412631 0.70 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL30485172 0.66 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL30485171 0.66 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL7755326 0.66 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL2605642 0.66 CSNK2A1 (0.60) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL7044142 0.65 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TSHRTLR8

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 CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885

“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.