SCHEMBL9915365

SCHEMBL9915365

CCCCOc1cnc(C(N)=O)cc1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPC6 Q9Y210 3/20 0.44
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL9915360 0.85 KDM4E (0.47) MAPTCYP3A4MEN1LMNAKMT2A
SCHEMBL9915498 0.84 KDM4E (0.44) MAPTCYP3A4MEN1LMNAKMT2A
SCHEMBL9915460 0.84 CYP1A2 (0.38) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL9915472 0.84 BACE1 (0.41) MEN1LMNAKMT2ATRPC6HTT
SCHEMBL9915414 0.83 TSHR (0.54) MAPTCYP3A4MEN1LMNAKMT2A
SCHEMBL9915496 0.79 MAOB (0.48) MAPTKMT2AHSD17B10KDM4EHPGD
SCHEMBL9915408 0.77 EGLN1 (0.45) MAPTLMNAHSD17B10KDM4EHPGD
SCHEMBL9915465 0.77 TRPC6 (0.47) TRPC6HPGDALDH1A1
SCHEMBL11858290 0.76 SIRT6 (0.43) MAPTCYP3A4MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL11845874 0.75 SIRT6 (0.42) MAPTCYP3A4MEN1LMNAKMT2A

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 MAPT 3674/4885CYP3A4 929/4885MEN1 2023/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM MAPT 3674/4885CYP3A4 929/4885MEN1 2023/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM MAPT 3674/4885CYP3A4 929/4885MEN1 2023/4885

“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.