SCHEMBL4387758

SCHEMBL4387758

N#Cc1cc(CON=C2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ENPP2 Q13822 2/20 0.40
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL4385524 0.89 POLB (0.42) L3MBTL1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4382790 0.87 PTGDR2 (0.42) PTGDR2KMT2ADPP4DPP8S1PR1
SCHEMBL4381786 0.87 DPP4 (0.39) KMT2APOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL4382741 0.84 DPP4 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTDPP4
SCHEMBL4385299 0.84 CACNA1C (0.41) PTGDR2ALDH1A1MAPTDPP4DPP8
SCHEMBL4381738 0.84 KDM1A (0.39) POLBSMN1; SMN2ALDH1A1MAPTDPP4
SCHEMBL4379075 0.83 CACNA1B (0.45) PTGDR2DPP4DPP8S1PR1
SCHEMBL4387304 0.82 P2RY12 (0.46) PTGDR2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13589008 0.82 KMT2A (0.42) KMT2APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL4376868 0.81 DPP4 (0.36) SMN1; SMN2DPP4DPP8

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 FKBP1A 2590/4885L3MBTL1 2099/4885PTGDR2 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.