SCHEMBL4093528

SCHEMBL4093528

Cc1c(-c2ccc(C(=O)N3CCCC(NC(=O)CCl)C3)s2)noc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK3 P27361 4/20 0.38
HDAC4 P56524 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
GFER P55789 2/20 0.35
PHGDH O43175 1/20 0.34
PROKR1 Q8TCW9 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
SCHEMBL3246657 1.00 KMT2A (0.41) KMT2AMEN1MAPK14MAPK3HDAC4
SCHEMBL3247284 0.90 MEN1 (0.40) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL3247287 0.90 MEN1 (0.40) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL3247407 0.90 MEN1 (0.41) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL3247405 0.90 MEN1 (0.41) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL4083108 0.90 MEN1 (0.41) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL11362162 0.90 MAPK14 (0.42) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL11961397 0.88 MEN1 (0.40) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL11353990 0.88 MEN1 (0.40) KMT2AMEN1MAPK14HDAC4HDAC6
SCHEMBL3249282 0.88 MEN1 (0.40) KMT2AMEN1MAPK14HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
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
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 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 (6 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 KMT2A 1192/4885MEN1 3625/4885MAPK14 3286/4885
US-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH KMT2A 1192/4885MEN1 3625/4885MAPK14 3286/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH KMT2A 1192/4885MEN1 3625/4885MAPK14 3286/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH KMT2A 1192/4885MEN1 3625/4885MAPK14 3286/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH KMT2A 1192/4885MEN1 3625/4885MAPK14 3286/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH KMT2A 1192/4885MEN1 3625/4885MAPK14 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.