SCHEMBL11362162

SCHEMBL11362162

Cc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN4CCCCC4)C3)s2)noc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA5 P31644 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
OGA O60502 1/20 0.35
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
GFER P55789 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
SCHEMBL4090267 0.94 MEN1 (0.40) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3254131 0.94 MEN1 (0.38) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3254134 0.94 MEN1 (0.38) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3249282 0.94 MEN1 (0.40) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3246657 0.90 KMT2A (0.41) MAPK14MEN1KMT2AHDAC4HDAC6
SCHEMBL4093528 0.90 KMT2A (0.41) MAPK14MEN1KMT2AHDAC4HDAC6
SCHEMBL3247287 0.88 MEN1 (0.40) MAPK14MEN1KMT2AALDH1A1TSHR
SCHEMBL3247284 0.88 MEN1 (0.40) MAPK14MEN1KMT2AALDH1A1TSHR
SCHEMBL4083108 0.88 MEN1 (0.41) MAPK14MEN1KMT2AHDAC4HDAC6
SCHEMBL3247405 0.88 MEN1 (0.41) MAPK14MEN1KMT2AHDAC4HDAC6

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 8 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
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 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 MAPK14 3286/4885MEN1 3625/4885KMT2A 1192/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH MAPK14 3286/4885MEN1 3625/4885KMT2A 1192/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH MAPK14 3286/4885MEN1 3625/4885KMT2A 1192/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH MAPK14 3286/4885MEN1 3625/4885KMT2A 1192/4885

“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.