SCHEMBL14948982

SCHEMBL14948982

COC(C)C(=O)Nc1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
ALDH1A1 P00352 2/20 0.68
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.55
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
PKM P14618 1/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL13467572 0.83 GAA (0.82) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17081335 0.83 GAA (0.60) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5188523 0.82 SMN1; SMN2 (0.68) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11330877 0.81 NPC1 (0.56) GAAALDH1A1KMT2AMEN1NPC1
SCHEMBL2608534 0.80 KMT2A (0.61) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15120767 0.79 TSHR (0.47) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL3742208 0.79 SMN1; SMN2 (0.63) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3134087 0.79 GAA (0.80) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28577763 0.79 GAA (0.79) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10973980 0.78 POLB (0.81) GAAALDH1A1KMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595995-B1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2015-11-25 EP disclosed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 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-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 GAA 2044/4885ALDH1A1 292/4885KMT2A 2661/4885

“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.