SCHEMBL11355255

SCHEMBL11355255

CNC(=O)C1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK14 Q16539 1/20 0.39
RHOA P61586 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RHOC P08134 1/20 0.38
NOTUM Q6P988 1/20 0.37
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 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
SCHEMBL4090160 1.00 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4089525 1.00 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL20082255 0.91 LMNA (0.39) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL3247283 0.89 RAB9A (0.43) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4087124 0.89 RAB9A (0.43) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4089514 0.89 RAB9A (0.43) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL11961400 0.88 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL11961399 0.88 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4098014 0.88 MEN1 (0.42) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL3240757 0.88 MEN1 (0.42) LMNAGAAMEN1KMT2AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH LMNA 1890/4885GAA 316/4885MEN1 3625/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH LMNA 1890/4885GAA 316/4885MEN1 3625/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH LMNA 1890/4885GAA 316/4885MEN1 3625/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH LMNA 1890/4885GAA 316/4885MEN1 3625/4885

“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.