SCHEMBL9915322

SCHEMBL9915322

CCCCOc1cn(OCCCC)c(CN)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
GAA P10253 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TP53 P04637 3/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL9915355 0.86 COMT (0.38) CYP1A2CYP2C9CYP2C19TDP1GAA
SCHEMBL16748757 0.83 S1PR2 (0.33) TDP1GAAALDH1A1MAPTL3MBTL1
SCHEMBL16748752 0.82 TP53 (0.34) CYP1A2CYP2C9CYP2C19GLATDP1
SCHEMBL9915356 0.80 MEN1 (0.33) GAAALDH1A1MAPTL3MBTL1MEN1
SCHEMBL9915353 0.77 KMT2A (0.41) SMN1; SMN2TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL15279057 0.77 TP53 (0.33) GLATDP1GAAALDH1A1L3MBTL1
SCHEMBL9915301 0.77 TDP1 (0.36) CYP1A2CYP2C9CYP2C19TDP1GAA
SCHEMBL9915448 0.76 PDE4B (0.32) CYP1A2CYP2C9CYP2C19TDP1GAA
SCHEMBL9915302 0.76 TP53 (0.40) ALDH1A1TP53TSHRHPGD
SCHEMBL3560118 0.75 CSNK2A1 (0.39) SMN1; SMN2GAAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
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 (3 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885
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.