SCHEMBL12693526

SCHEMBL12693526

FC(F)(F)c1ccc2oc(-c3ccncc3-n3ccc(Br)c3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 2/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ MAPT P10636 3/20 0.33

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
SCHEMBL1026405 0.84 AGPAT2 (0.42) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL12690187 0.84 KDM4E (0.43) AGPAT2KDM4EALDH1A1GAAHPGD
SCHEMBL1024981 0.82 AGPAT2 (0.38) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1022966 0.82 AGPAT2 (0.38) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1025657 0.81 AGPAT2 (0.40) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1026539 0.80 AGPAT2 (0.47) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1023531 0.79 AGPAT2 (0.39) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1024908 0.79 CNR2 (0.41) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1147120 0.78 AGPAT2 (0.39) AGPAT2HDAC6HDAC3HDAC1HDAC2
SCHEMBL1025825 0.78 AGPAT2 (0.41) AGPAT2HDAC6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 — — US disclosed
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 — — 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-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R AGPAT2 652/4885HDAC6 1809/4885HDAC3 866/4885

“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.

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