SCHEMBL3249605

SCHEMBL3249605

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HDAC4 P56524 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.36
HSD17B1 P14061 6/20 0.36
HSD17B2 P37059 6/20 0.36

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
SCHEMBL19151672 0.86 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL3244594 0.86 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL3250456 0.86 HDAC6 (0.43) ALDH1A1HDAC4HDAC6HDAC1HDAC3
SCHEMBL20082302 0.85 HDAC6 (0.42) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL3247527 0.85 HDAC6 (0.42) ALDH1A1HDAC4HDAC6HDAC1HDAC3
SCHEMBL3253468 0.84 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL21230185 0.81 HDAC4 (0.35) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL21230173 0.81 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL3262869 0.81 HDAC4 (0.50) ALDH1A1RAB9ANPC1HDAC4HDAC6
SCHEMBL3241342 0.81 TP53 (0.45) ALDH1A1HDAC4HDAC6HDAC1HDAC3

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 ALDH1A1 254/4885RAB9A 2123/4885NPC1 3017/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH ALDH1A1 254/4885RAB9A 2123/4885NPC1 3017/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH ALDH1A1 254/4885RAB9A 2123/4885NPC1 3017/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH ALDH1A1 254/4885RAB9A 2123/4885NPC1 3017/4885

“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.