SCHEMBL9909661

SCHEMBL9909661

CC(=O)c1ccc(OCc2ccccc2)c(N=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAOB P27338 4/20 0.53
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
BRD4 O60885 1/20 0.45
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
FOLH1 Q04609 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 2/20 0.42

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
SCHEMBL29633530 0.82 MAPT (1.00) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL701961 0.82 MAPT (1.00) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL21668583 0.82 MAPT (0.74) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1559781 0.81 MAPT (0.72) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL31069853 0.81 MAPT (0.72) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL9123233 0.80 MAPT (0.71) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL9120538 0.77 MAPT (0.67) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL24162183 0.77 MAPT (0.67) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL19267889 0.77 SMN1; SMN2 (0.67) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8465903 0.76 MAPT (0.70) L3MBTL1MAPTCYP2C9CYP2C19SMN1; 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
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 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 (2 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B L3MBTL1 2855/4885MAPT 2725/4885CYP2C9 1279/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A L3MBTL1 2364/4885MAPT 1010/4885CYP2C9 1911/4885

“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.