SCHEMBL871766

SCHEMBL871766

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
PDK2 Q15119 1/20 0.30
NPC1 O15118 1/20 0.30
TACR1 P25103 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
SCHEMBL870580 0.95 KDM4E (0.35) KDM4EMEN1POLBMAPTRECQL
SCHEMBL869751 0.90 KDM4E (0.35) KDM4EMEN1POLBMAPTRECQL
SCHEMBL870666 0.87 CFTR (0.34) KDM4EMEN1MAPTKMT2APDK2
SCHEMBL871010 0.86 KDM4E (0.33) KDM4EMEN1POLBMAPTRECQL
SCHEMBL870558 0.86 LTB4R (0.32) KDM4EALDH1A1HPGDPDK2
SCHEMBL871103 0.85 KDM4E (0.33) KDM4EMEN1POLBMAPTRECQL
SCHEMBL869976 0.85 KDM4E (0.35) KDM4EMEN1POLBMAPTRECQL
SCHEMBL878386 0.85 RPS6KB1 (0.34) KDM4EMEN1POLBMAPTRECQL
SCHEMBL869874 0.82 CFTR (0.37) KDM4EMAPTPDK2
SCHEMBL23784660 0.81 PDK2 (0.36) KDM4EPOLBMAPTRECQLALDH1A1

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 3050/4885MEN1 3815/4885POLB 184/4885

“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.