SCHEMBL9915460

SCHEMBL9915460

CCCCOc1cnc(C(N)=S)cc1OCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 2/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXRA P19793 1/20 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
SCHEMBL9915365 0.84 MAPT (0.44) CYP1A2CYP2C9CYP2C19TRPC6NPC1
SCHEMBL9915472 0.84 BACE1 (0.41) CYP1A2CYP2C9CYP2C19TLR8TRPC6
SCHEMBL9915360 0.79 KDM4E (0.47) CYP1A2ALDH1A1MAPTKDM4EHPGD
SCHEMBL9915498 0.77 KDM4E (0.44) CYP1A2CYP2C9CYP2C19TRPC6ALDH1A1
SCHEMBL9915414 0.76 TSHR (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL9915496 0.73 MAOB (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2PDE4A
SCHEMBL14124880 0.72 PLAU (0.46) TRPC6NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9915311 0.71 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19TLR8NPC1
SCHEMBL9915402 0.71 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TLR8NPC1
SCHEMBL9915408 0.71 EGLN1 (0.45) ALDH1A1PDE4APDE4BPDE4CPDE4D

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.