SCHEMBL2142014

SCHEMBL2142014

CC(C)(C)OC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(N)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
PDE10A Q9Y233 1/20 0.45
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 1/20 0.43
MET P08581 1/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 1/20 0.42
ATR Q13535 1/20 0.41

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
SCHEMBL29546457 0.96 MAP4K4 (0.59) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL110185 0.96 MAP4K4 (0.59) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL113108 0.91 MAP4K4 (0.47) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL13075584 0.86 MAP4K4 (0.60) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL114257 0.85 MAP4K4 (0.61) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL25410640 0.84 MAP4K4 (0.47) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL25410881 0.84 MAP4K4 (0.46) MAP4K4ALDH1A1MAPTLMNAKCNH2
SCHEMBL3174381 0.84 MAPT (0.57) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL23612029 0.84 MAPT (0.57) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL30021896 0.84 MAPT (0.57) MAP4K4ALDH1A1MAPTLMNACKS1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151257-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-07-12 CN disclosed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
EP-4065110-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 EP disclosed
CN-115151257-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed
WO-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 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-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 MAP4K4 2954/4885ALDH1A1 2505/4885MAPT 1948/4885
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 MAP4K4 137/4885ALDH1A1 3598/4885MAPT 1535/4885

“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.