SCHEMBL2525265

SCHEMBL2525265

CCC(OC)c1onc(-c2ccc(Cl)cc2F)c1C(O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA5 P31644 1/20 0.36
MME P08473 1/20 0.35
CYP3A4 P08684 9/20 0.35
CYP3A5 P20815 8/20 0.35
BRD4 O60885 1/20 0.34
CYP51A1 Q16850 1/20 0.34
ATM Q13315 1/20 0.33
KCNA5 P22460 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PRKDC P78527 1/20 0.32
KCND3 Q9UK17 1/20 0.32

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
SCHEMBL12211584 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAL3MBTL1GABRA5MME
SCHEMBL12211663 0.85 BRD4 (0.39) SMN1; SMN2LMNAL3MBTL1GABRA5CYP3A4
SCHEMBL2525900 0.80 CYP3A4 (0.39) SMN1; SMN2LMNAL3MBTL1GABRA5MME
SCHEMBL18707644 0.78 ATM (0.37) SMN1; SMN2LMNAL3MBTL1GABRA5MME
SCHEMBL12211716 0.78 ATM (0.37) SMN1; SMN2LMNAL3MBTL1GABRA5MME
SCHEMBL29369392 0.78 ATM (0.39) SMN1; SMN2LMNAL3MBTL1CYP3A4CYP3A5
SCHEMBL29360928 0.78 ATM (0.39) SMN1; SMN2LMNAL3MBTL1CYP3A4CYP3A5
SCHEMBL29367523 0.78 ATM (0.39) SMN1; SMN2LMNAL3MBTL1CYP3A4CYP3A5
SCHEMBL3114118 0.78 ATM (0.39) SMN1; SMN2LMNAL3MBTL1CYP3A4CYP3A5
SCHEMBL2471057 0.78 ATM (0.39) SMN1; SMN2LMNAL3MBTL1CYP3A4CYP3A5

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 SMN1; SMN2 4879/4885LMNA 4574/4885L3MBTL1 4082/4885

“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.