SCHEMBL3250241

SCHEMBL3250241

Cc1c(-c2ccc(C(=O)N3CCC(N)CC3)s2)noc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
MAPK14 Q16539 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SCD5 Q86SK9 1/20 0.35
HPGD P15428 3/20 0.35
HDAC4 P56524 3/20 0.35
STAT3 P40763 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

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
SCHEMBL3253614 0.94 CDK4 (0.39) SPRMAPK14HDAC1HDAC6HDAC3
SCHEMBL3247320 0.94 CDK4 (0.39) SPRMAPK14HDAC1HDAC6HDAC3
SCHEMBL4083448 0.94 CDK4 (0.39) SPRMAPK14HDAC1HDAC6HDAC3
SCHEMBL3254638 0.94 SPR (0.41) SPRMAPK14L3MBTL3L3MBTL1HDAC1
SCHEMBL19775125 0.93 SPR (0.39) SPRMAPK14L3MBTL3L3MBTL1HDAC1
SCHEMBL11355539 0.91 MAPK14 (0.47) SPRMAPK14L3MBTL3L3MBTL1HDAC1
SCHEMBL3250269 0.91 TRPV1 (0.43) SPRMAPK14L3MBTL3L3MBTL1HDAC1
SCHEMBL8094023 0.90 SPR (0.50) SPRMAPK14L3MBTL3L3MBTL1HDAC1
SCHEMBL17624644 0.90 SPR (0.40) SPRMAPK14L3MBTL3L3MBTL1HDAC1
SCHEMBL11357683 0.89 SPR (0.43) SPRMAPK14L3MBTL3L3MBTL1HDAC1

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 37 patents — showing the first 20. 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
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-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 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-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
EP-2182809-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Helicon Therapeutics, Inc. (US) 2010-05-12 EP disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 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 (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-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH SPR 3175/4885MAPK14 3286/4885L3MBTL3 2981/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH SPR 3175/4885MAPK14 3286/4885L3MBTL3 2981/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH SPR 3175/4885MAPK14 3286/4885L3MBTL3 2981/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH SPR 3175/4885MAPK14 3286/4885L3MBTL3 2981/4885

“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.