SCHEMBL581076

SCHEMBL581076

COC(=O)c1ccnc(Cc2ccccc2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
NOTUM Q6P988 1/20 0.45
KIF11 P52732 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NR3C2 P08235 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43

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
SCHEMBL2734033 0.84 MAOB (0.52) KIF11MAOAMAOBNR3C2RBP4
SCHEMBL581409 0.84 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL580763 0.79 NOTUM (0.46) NOTUMKIF11MRGPRX4NR3C2KDM4E
SCHEMBL580585 0.78 KDM5B (0.56) NPC1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL581445 0.78 MRGPRX4 (0.46) NOTUMMRGPRX4MAOBNR3C2KDM4E
SCHEMBL581494 0.77 MRGPRX4 (0.51) MRGPRX4MAOBNR3C2KDM4C
SCHEMBL23990564 0.76 KDM4E (0.51) NOTUMMRGPRX4NPC1HPGDRAB9A
SCHEMBL2409737 0.76 KDM4E (0.56) NOTUMMRGPRX4NPC1HPGDRAB9A
SCHEMBL31211653 0.76 KDM4E (0.56) NOTUMMRGPRX4NPC1HPGDRAB9A
SCHEMBL580655 0.75 KDM5A (0.45) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2

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 ABL1 1279/4885SRC 941/4885NOTUM 2559/4885

“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.