SCHEMBL3247320

SCHEMBL3247320

Cc1c(-c2ccc(C(=O)N3CC[C@H](N)C3)s2)noc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
KCNH2 Q12809 1/20 0.37
SPR P35270 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAPK14 Q16539 2/20 0.35
KDM1A O60341 3/20 0.35
MCHR1 Q99705 7/20 0.35
SCD5 Q86SK9 1/20 0.35
HTR7 P34969 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL3253614 1.00 CDK4 (0.39) CDK4CCND1KCNH2SPRSLC2A1
SCHEMBL4083448 1.00 CDK4 (0.39) CDK4CCND1KCNH2SPRSLC2A1
SCHEMBL4083044 0.94 CHEK1 (0.37) CDK4CCND1SPRMAPK14KDM1A
SCHEMBL3240789 0.94 CHEK1 (0.37) CDK4CCND1SPRMAPK14KDM1A
SCHEMBL3250083 0.94 CHEK1 (0.37) CDK4CCND1SPRMAPK14KDM1A
SCHEMBL3250241 0.94 SPR (0.40) SPRMAPK14SCD5HDAC3HDAC4
SCHEMBL3254638 0.90 SPR (0.41) SPRMAPK14SCD5HDAC3HDAC4
SCHEMBL4087475 0.88 SPR (0.39) SPRMAPK14MCHR1SCD5HDAC3
SCHEMBL4089962 0.88 SPR (0.39) SPRMAPK14MCHR1SCD5HDAC3
SCHEMBL19775256 0.88 SPR (0.39) SPRMAPK14MCHR1SCD5HDAC3

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 34 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
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-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-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 US disclosed
US-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 US disclosed
US-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 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 CDK4 3361/4885CCND1 2585/4885KCNH2 2329/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CDK4 3361/4885CCND1 2585/4885KCNH2 2329/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CDK4 3361/4885CCND1 2585/4885KCNH2 2329/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CDK4 3361/4885CCND1 2585/4885KCNH2 2329/4885

“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.