SCHEMBL2344744

SCHEMBL2344744

N/C(=N\O)c1ccc(N2CCC(F)(F)CC2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
SLC9A1 P19634 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ADRB2 P07550 1/20 0.36
TTR P02766 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2344748 1.00 PDE3B (0.43) PDE3BPDE3ASLC9A1CYP3A4CYP2C19
SCHEMBL2340975 0.83 SLC9A1 (0.45) PDE3BPDE3ASLC9A1CYP3A4CYP2C19
SCHEMBL2340985 0.83 SLC9A1 (0.45) PDE3BPDE3ASLC9A1CYP3A4CYP2C19
SCHEMBL1962239 0.83 NOTUM (0.50) PDE3BPDE3ASLC9A1CYP3A4CYP2C19
SCHEMBL1962241 0.83 NOTUM (0.50) PDE3BPDE3ASLC9A1CYP3A4CYP2C19
SCHEMBL1972312 0.77 PDE3B (0.43) PDE3BPDE3ASLC9A1CYP3A4CYP2C19
SCHEMBL10156506 0.76 MAPT (0.51) PDE3BPDE3AGAAADRB2TP53
SCHEMBL1968214 0.70 PDE3B (0.46) PDE3BPDE3AADRB2
SCHEMBL1397423 0.70 ALDH1A1 (0.55) SLC9A1CYP3A4CYP2C19GAAMAPT
SCHEMBL23865026 0.70 MAPT (0.44) NPC1GAARAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 PDE3B 214/4885PDE3A 220/4885SLC9A1 3930/4885

“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.