SCHEMBL11961397

SCHEMBL11961397

C=C(C)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 2/20 0.39
HDAC4 P56524 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
GFER P55789 2/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PHGDH O43175 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL11353990 1.00 MEN1 (0.40) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL3247407 0.93 MEN1 (0.41) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL4083108 0.93 MEN1 (0.41) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL3247405 0.93 MEN1 (0.41) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL4098014 0.90 MEN1 (0.42) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL16373443 0.90 KMT2A (0.42) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL3240757 0.90 MEN1 (0.42) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL3252673 0.90 MEN1 (0.42) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL3246657 0.88 KMT2A (0.41) MEN1KMT2AMAPK14HDAC4HDAC6
SCHEMBL4093528 0.88 KMT2A (0.41) MEN1KMT2AMAPK14HDAC4HDAC6

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 MEN1 3625/4885KMT2A 1192/4885MAPK14 3286/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH MEN1 3625/4885KMT2A 1192/4885MAPK14 3286/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH MEN1 3625/4885KMT2A 1192/4885MAPK14 3286/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH MEN1 3625/4885KMT2A 1192/4885MAPK14 3286/4885

“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.