SCHEMBL2525900

SCHEMBL2525900

COC(C)(C)c1onc(-c2ccc(Cl)cc2F)c1C(O)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.39
CYP3A5 P20815 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34
KCNA5 P22460 2/20 0.34
PDE10A Q9Y233 1/20 0.34
GABRA5 P31644 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2B Q7LG56 1/20 0.33
MME P08473 1/20 0.33
BRD4 O60885 1/20 0.33
KCND3 Q9UK17 1/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33

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
SCHEMBL12211607 0.82 CYP3A4 (0.34) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL12211663 0.81 BRD4 (0.39) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2198693 0.81 NPC1 (0.40) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2525265 0.80 SMN1; SMN2 (0.38) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL12211674 0.79 CYP3A4 (0.38) CYP3A4CYP3A5ATMGABRA5
SCHEMBL12211716 0.79 ATM (0.37) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL18707644 0.79 ATM (0.37) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL29369392 0.79 ATM (0.39) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL3114118 0.79 ATM (0.39) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL29367523 0.79 ATM (0.39) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 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-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CYP3A4 981/4885CYP3A5 430/4885SMN1; SMN2 4879/4885

“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.