SCHEMBL13102454

SCHEMBL13102454

COCCNC(=O)c1cccc(NNC(=O)OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
ALDH1A1 P00352 2/20 0.58
EPHX2 P34913 1/20 0.48
HPGD P15428 3/20 0.47
GPR52 Q9Y2T5 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
BRAF P15056 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KAT6A Q92794 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL13102471 0.86 L3MBTL1 (0.48) MAPTALDH1A1HPGDPRMT5WDR77
SCHEMBL3407850 0.84 ALDH1A1 (0.67) MAPTALDH1A1EPHX2HPGDGPR52
SCHEMBL7262423 0.81 ACACB (0.58) PRMT5WDR77KDM4E
SCHEMBL7257964 0.81 RAB9A (0.51) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL536638 0.79 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL29378002 0.79 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL5694862 0.77 MEN1 (0.43) MAPTALDH1A1LMNAGAANPSR1
SCHEMBL537946 0.77 HPGD (0.56) MAPTALDH1A1EPHX2HPGDGPR52
SCHEMBL284764 0.76 SMN1; SMN2 (0.55) ALDH1A1HPGDSMN1; SMN2LMNAGAA
SCHEMBL27339335 0.76 EPHX2 (0.61) MAPTALDH1A1EPHX2HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 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-20100256104-A1 NOVEL AMIDE COMPOUNDS H1-4, H1-3, H1-5 MAPT 3420/4885ALDH1A1 1751/4885EPHX2 2036/4885
US-20130237507-A1 Novel Amide Compounds H1-4, H1-3, H1-5 MAPT 3448/4885ALDH1A1 1605/4885EPHX2 2019/4885

“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.