SCHEMBL2833834

SCHEMBL2833834

CCOC(=O)CCn1c(=O)n(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
GLA P06280 1/20 0.47
TNF P01375 1/20 0.46
CXCR3 P49682 1/20 0.45
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL25230511 0.88 ALDH1A1 (0.68) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL11514777 0.83 ALDH1A1 (0.71) MEN1KMT2AGAAALDH1A1TNF
SCHEMBL28357637 0.82 MEN1 (0.51) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL2804975 0.81 ALDH1A1 (0.55) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL25232659 0.79 MEN1 (0.43) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL25276282 0.77 APEX1 (0.59) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL3726869 0.77 TNF (0.46) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL27031063 0.76 CNR2 (0.43) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL28353831 0.75 LMNA (0.43) L3MBTL1LMNA
SCHEMBL1405053 0.75 TNF (0.59) MEN1KMT2AGAAALDH1A1L3MBTL1

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-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 MEN1 1035/4885KMT2A 4203/4885GAA 21/4885

“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.