SCHEMBL4083475

SCHEMBL4083475

Cc1c(-c2ccc(C(=O)N3CC(C)NC(C)C3)s2)noc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SPR P35270 1/20 0.34
MAPK14 Q16539 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.33
KDM5A P29375 1/20 0.32
STAT3 P40763 1/20 0.32
CHRNA4 P43681 3/20 0.32

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
SCHEMBL8100913 1.00 HDAC4 (0.35) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL3249522 0.89 HDAC4 (0.37) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL11357777 0.88 HDAC4 (0.35) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL11355164 0.86 CNR1 (0.40) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL3250593 0.85 P2RY14 (0.42) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL11355539 0.84 MAPK14 (0.47) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL21230178 0.84 HPGD (0.36) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL19775106 0.84 HPGD (0.45) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL3254638 0.83 SPR (0.41) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL11355346 0.83 POLB (0.42) MAPK14ALDH1A1NPC1LMNARAB9A

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 15 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
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-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 HDAC4 808/4885HDAC1 681/4885HDAC6 936/4885
US-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH HDAC4 808/4885HDAC1 681/4885HDAC6 936/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HDAC4 808/4885HDAC1 681/4885HDAC6 936/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HDAC4 808/4885HDAC1 681/4885HDAC6 936/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HDAC4 808/4885HDAC1 681/4885HDAC6 936/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH HDAC4 808/4885HDAC1 681/4885HDAC6 936/4885

“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.