SCHEMBL4385524

SCHEMBL4385524

N#Cc1cc(CON=C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
RORC P51449 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
KCNK3 O14649 1/20 0.35
GRM5 P41594 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
SCHEMBL4382790 0.90 PTGDR2 (0.42) ME2ME1ME3KMT2ADPP4
SCHEMBL4387758 0.89 FKBP1A (0.45) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL4381738 0.88 KDM1A (0.39) POLBMAPTDPP4DPP8RORC
SCHEMBL4385299 0.88 CACNA1C (0.41) MAPTDPP4DPP8RORCALDH1A1
SCHEMBL4382741 0.88 DPP4 (0.36) MAPTDPP4DPP8RORCSMN1; SMN2
SCHEMBL4381786 0.86 DPP4 (0.39) POLBKMT2ADPP4DPP8RORC
SCHEMBL4379075 0.86 CACNA1B (0.45) DPP4DPP8CNR1
SCHEMBL4380722 0.86 GPR183 (0.46) MEN1KMT2AALDH1A1
SCHEMBL4380717 0.86 GPR183 (0.46) MEN1KMT2AALDH1A1
SCHEMBL4387304 0.85 P2RY12 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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 (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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 POLB 4671/4885ME2 2282/4885ME1 1978/4885

“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.