SCHEMBL11961399

SCHEMBL11961399

C=C(N)[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.37
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL11961400 1.00 LMNA (0.40) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL3247283 0.93 RAB9A (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL4089514 0.93 RAB9A (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL4087124 0.93 RAB9A (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL20082255 0.90 LMNA (0.39) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL11357682 0.88 MEN1 (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL11357917 0.88 MEN1 (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL17286674 0.88 MEN1 (0.39) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL11355255 0.88 LMNA (0.40) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL4090160 0.88 LMNA (0.40) LMNAGAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8921399-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-12-30 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 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 (2 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-20150336941-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.