SCHEMBL11961395

SCHEMBL11961395

COC(=O)c1ccc(-c2onc(C(F)F)c2C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
LMNA P02545 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35

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
SCHEMBL3246805 0.88 DAO (0.44) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL3252630 0.88 HDAC3 (0.45) NPSR1PPARGNCOA2LMNAHDAC4
SCHEMBL11361990 0.79 LMNA (0.38) NPSR1PPARGNCOA2LMNANCOA1
SCHEMBL19775385 0.77 NPC1 (0.33) HPGDALDH1A1HSD17B10MAPTTP53
SCHEMBL3246810 0.77 HPGD (0.45) NPSR1LMNAHDAC4HDAC1HDAC6
SCHEMBL20082312 0.76 KDM4E (0.43) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL1235256 0.72 LMNA (0.60) NPSR1PPARGNCOA2LMNANCOA1
SCHEMBL6498557 0.71 DAO (0.52) NPSR1PPARGNCOA2LMNANCOA1
SCHEMBL7885993 0.70 KDM4E (0.50) NPSR1PPARGNCOA2LMNANCOA1
SCHEMBL7886029 0.70 HDAC6 (0.65) NPSR1PPARGNCOA2LMNANCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 US disclosed
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2015-11-26 US disclosed
US-9029397-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-05-12 US disclosed
US-8921399-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-12-30 US disclosed
US-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2013-02-28 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 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 (4 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-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH NPSR1 667/4885PPARG 1876/4885NCOA2 2082/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH NPSR1 667/4885PPARG 1876/4885NCOA2 2082/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH NPSR1 667/4885PPARG 1876/4885NCOA2 2082/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH NPSR1 667/4885PPARG 1876/4885NCOA2 2082/4885

“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.