SCHEMBL869751

SCHEMBL869751

NC(=O)COC(=O)c1ccc(C2=NOC(c3cc(F)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
PDK2 Q15119 2/20 0.31
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL871766 0.90 KDM4E (0.33) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL869976 0.89 KDM4E (0.35) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL869871 0.87 PDK2 (0.40) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL870580 0.86 KDM4E (0.35) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL870417 0.86 PDK2 (0.34) PDK2
SCHEMBL871103 0.85 KDM4E (0.33) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL878386 0.85 RPS6KB1 (0.34) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL871010 0.85 KDM4E (0.33) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL3107680 0.82 PDK2 (0.39) KMT2APDK2HPGD
SCHEMBL869547 0.82 PDK2 (0.42) KDM4EALDH1A1GAAMAPTKMT2A

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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 KDM4E 3050/4885ALDH1A1 432/4885GLA 2764/4885

“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.