SCHEMBL581599

SCHEMBL581599

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.57
TACR1 P25103 5/20 0.41
SMYD3 Q9H7B4 6/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 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
SCHEMBL583170 0.90 PLG (0.47) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL580987 0.90 PLG (0.58) PLGGABRA1GABRG2GABRB3
SCHEMBL582656 0.90 PLG (0.60) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL587432 0.89 PLG (0.59) PLGTACR1GABRA1GABRG2GABRB3
SCHEMBL587279 0.89 PLG (0.53) PLGTACR1SMYD3
SCHEMBL3078637 0.89 PLG (0.53) PLGTACR1SMYD3
SCHEMBL3074910 0.89 PLG (0.53) PLGTACR1SMYD3
SCHEMBL3068771 0.89 PLG (0.53) PLGTACR1SMYD3
SCHEMBL580868 0.89 PLG (0.53) PLGTACR1SMYD3
SCHEMBL27869857 0.89 PLG (0.45) PLGTACR1SMYD3GABRA1GABRG2

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 PLG 4861/4885TACR1 474/4885SMYD3 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.