SCHEMBL581874

SCHEMBL581874

COC(=O)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1CC(C)(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.34
NPY2R P49146 2/20 0.34
HCRTR2 O43614 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
RBP4 P02753 1/20 0.33
TACR1 P25103 1/20 0.33
RIPK1 Q13546 1/20 0.33
FKBP1A P62942 1/20 0.33
CHRM3 P20309 5/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL581806 0.84 BRD4 (0.38) LMNABRD4NPY2RHCRTR2KDM4E
SCHEMBL580913 0.84 FKBP1A (0.33) FKBP1A
SCHEMBL581881 0.80 GRIN2B (0.39) TACR1
SCHEMBL581880 0.79 NPC1 (0.38) NPY2RRIPK1
SCHEMBL581355 0.78 FKBP1A (0.32) FKBP1A
SCHEMBL581410 0.76 TSHR (0.37) BRD4FKBP1A
SCHEMBL21987437 0.75 KDM4E (0.38) LMNAKDM4EPKMMEN1KMT2A
SCHEMBL21987438 0.75 KDM4E (0.38) LMNAKDM4EPKMMEN1KMT2A
SCHEMBL21987485 0.74 SMYD2 (0.35) LMNARIPK1FKBP1AMEN1KMT2A
SCHEMBL581350 0.72 PKM (0.36) KDM4EPKMCHRM1MEN1KMT2A

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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 (1 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 LMNA 3853/4885BRD4 208/4885NPY2R 187/4885

“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.