SCHEMBL581037

SCHEMBL581037

COC(=O)C1CCNC(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.47
HTR2C P28335 2/20 0.45
LMNA P02545 4/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
KDM1A O60341 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TRPM5 Q9NZQ8 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL580690 0.89 SLC6A2 (0.38) GUSB
SCHEMBL581068 0.86 TDP1 (0.44) HTR2CPOLBKDM1AALDH1A1MAPT
SCHEMBL4505964 0.86 TDP1 (0.44) HTR2CPOLBKDM1AALDH1A1MAPT
Hydrochloric Acid SCHEMBL4504270 0.85 TDP1 (0.44) HTR2CPOLBKDM1AALDH1A1MAPT
Hydrochloric Acid SCHEMBL581702 0.82 HTR2A (0.37) GUSBKMT2APOLBALDH1A1MAPT
SCHEMBL29892209 0.82 SLC6A3 (0.44) POLBALDH1A1
SCHEMBL580939 0.82 SLC6A3 (0.44) POLBALDH1A1
SCHEMBL29115937 0.82 SLC6A3 (0.44) POLBALDH1A1
SCHEMBL29892868 0.82 SLC6A3 (0.44) POLBALDH1A1
SCHEMBL29116129 0.82 SLC6A3 (0.44) POLBALDH1A1

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 GUSB 4226/4885HTR2C 305/4885LMNA 3853/4885

“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.