SCHEMBL3488949

SCHEMBL3488949

COc1ccc(CN2CC(NC(=O)OC(C)(C)C)CC/C2=C\C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
SCN9A Q15858 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
DRD2 P14416 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
CACNA1B Q00975 2/20 0.37
EPHX2 P34913 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3488955 1.00 KMT2A (0.45) KMT2AL3MBTL1PKMHTTSMN1; SMN2
SCHEMBL13631103 0.89 ALDH1A1 (0.41) KMT2AL3MBTL1PKMHTTSMN1; SMN2
SCHEMBL13434258 0.89 ALDH1A1 (0.41) KMT2AL3MBTL1PKMHTTSMN1; SMN2
SCHEMBL13434254 0.85 CYP3A4 (0.47) KMT2AL3MBTL1SMN1; SMN2MMP1MMP13
SCHEMBL13434255 0.84 L3MBTL1 (0.45) KMT2AL3MBTL1PKMHTTSMN1; SMN2
SCHEMBL29725628 0.77 SIGMAR1 (0.56) KMT2AL3MBTL1SIGMAR1ALDH1A1MEN1
SCHEMBL13088854 0.76 KDM4E (0.53) KMT2AL3MBTL1SIGMAR1
SCHEMBL25593840 0.75 KMT2A (0.59) KMT2AL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL25841821 0.75 KMT2A (0.50) KMT2AL3MBTL1SIGMAR1ALDH1A1CYP2C19
SCHEMBL7475783 0.75 SIGMAR1 (0.65) KMT2ASMN1; SMN2SIGMAR1ALDH1A1MEN1

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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 KMT2A 921/4885L3MBTL1 3531/4885PKM 3687/4885

“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.