SCHEMBL581052

SCHEMBL581052

COC(=O)C1CCNC(Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
P2RX7 Q99572 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL581990 0.87 CYP3A4 (0.43) KDM4EKMT2ATDP1
SCHEMBL580937 0.86 TACR1 (0.41) ALDH1A1SMN1; SMN2KMT2ATSHRSIGMAR1
SCHEMBL581503 0.85 PLG (0.53) KMT2ASLC6A2SLC6A4
SCHEMBL581126 0.84 MAPT (0.40) HTTALDH1A1KDM4ETDP1SLC6A4
SCHEMBL580899 0.83 PLG (0.48) POLBSMYD3ALDH1A1SLC6A2SLC6A4
SCHEMBL581048 0.81 PDE2A (0.37) P2RX7
SCHEMBL28794681 0.81 SMN1; SMN2 (0.41) POLBHTTSMYD3ALDH1A1SMN1; SMN2
SCHEMBL28794683 0.81 S1PR1 (0.42) SMYD3KMT2AMEN1SLC6A2SLC6A4
SCHEMBL582203 0.80 LMNA (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1SLC6A2
SCHEMBL581181 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ESLC6A2SLC6A4

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 POLB 4067/4885HTT 2375/4885SMYD3 4229/4885

“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.