SCHEMBL5878875

SCHEMBL5878875

CN(C)C(=O)c1cc(Br)cnc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
ALDH1A1 P00352 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LIPE Q05469 1/20 0.36
RAF1 P04049 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
GRIN2B Q13224 1/20 0.36
CCR9 P51686 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL5878557 0.85 DHODH (0.43) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL31065386 0.77 SCN5A (0.39) SLC6A2SLC6A4MEN1KMT2ANPC1
SCHEMBL5878919 0.76 SLC6A4 (0.52) SLC6A2SLC6A4ALDH1A1
SCHEMBL840972 0.75 PIK3C3 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31065349 0.75 EGFR (0.38) ALDH1A1GPBAR1MEN1KMT2ASMN1; SMN2
SCHEMBL4456353 0.73 HPGD (0.51) ALDH1A1L3MBTL1HPGDPTGER4
SCHEMBL31065370 0.72 SCN5A (0.35) SLC6A2SLC6A4NPC1RAB9AL3MBTL1
SCHEMBL31065344 0.72 NPBWR1 (0.35) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL31065345 0.72 NPBWR1 (0.35) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL1994955 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US 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 (2 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-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI SLC6A2 4120/4885SLC6A4 3835/4885ALDH1A1 203/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI SLC6A2 4120/4885SLC6A4 3835/4885ALDH1A1 203/4885

“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.