SCHEMBL17899459

SCHEMBL17899459

COC(C)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK5 Q16478 1/20 0.41
LMNA P02545 6/20 0.39
MET P08581 4/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL17897665 0.82 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL13531666 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL6153438 0.81 MAPK1 (0.42) SMN1; SMN2LMNAMETPOLBHTT
SCHEMBL17899463 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL11098893 0.79 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL24235951 0.76 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL11113253 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL10510362 0.75 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL16322670 0.75 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL11097790 0.74 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP SMN1; SMN2 4469/4885KDM4E 1194/4885CYP1A2 2340/4885

“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.