SCHEMBL13249042

SCHEMBL13249042

O/N=C\c1ccc(Br)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
GCGR P47871 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
TSHR P16473 2/20 0.36
PLAU P00749 2/20 0.36
FGF23 Q9GZV9 1/20 0.36
HTR6 P50406 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL2516696 1.00 HPGD (0.46) HPGDHTTKDM4EMAPTGAA
SCHEMBL2516694 1.00 HPGD (0.46) HPGDHTTKDM4EMAPTGAA
SCHEMBL4272121 0.87 HPGD (0.55) HPGDHTTKDM4EMAPTALDH1A1
SCHEMBL4272126 0.87 HPGD (0.55) HPGDHTTKDM4EMAPTALDH1A1
SCHEMBL17548944 0.78 IDO1 (0.54) HPGDHTTKDM4EMAPTGCGR
SCHEMBL17988288 0.78 IDO1 (0.54) HPGDHTTKDM4EMAPTGCGR
SCHEMBL1036073 0.77 AXL (0.46) HPGDHTTKDM4EPLAUNPC1
SCHEMBL1036074 0.77 AXL (0.46) HPGDHTTKDM4EPLAUNPC1
SCHEMBL9972003 0.76 RXFP1 (0.38) HPGDHTTKDM4EMAPTALDH1A1
SCHEMBL2510894 0.76 HPGD (0.46) HPGDHTTKDM4EMAPTGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095138-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-20150098928-A9 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 US disclosed
US-20140127165-A1 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-8623875-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 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 (3 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-20150098928-A9 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 HPGD 3748/4885HTT 3257/4885KDM4E 3027/4885
US-20140127165-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 HPGD 3748/4885HTT 3257/4885KDM4E 3027/4885
US-20100179195-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 HPGD 3748/4885HTT 3257/4885KDM4E 3027/4885

“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.