SCHEMBL13388282

SCHEMBL13388282

CC(NC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n[nH]2)n[nH]1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.41
▸ HPGD P15428 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ STK25 O00506 1/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ CA9 Q16790 2/20 0.36

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
SCHEMBL13388276 0.93 MAPK1 (0.38) MAPK1HPGDJAK2JAK1JAK3
SCHEMBL13387617 0.84 MAPK1 (0.36) MAPK1HPGDCCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL13387652 0.82 CPB2 (0.40) MAPK1CA12CA1CA2CA9
SCHEMBL13256448 0.77 CCNA2 (0.53) HPGDCCNA2CDK2CCNA1
SCHEMBL13387620 0.76 SMN1; SMN2 (0.44) CCNA2CDK2CCNA1CA12
SCHEMBL19101944 0.72 DYRK1A (0.38) CCNA2CDK2CCNA1
SCHEMBL3932634 0.71 MAPK8 (0.55) HPGDPOLB
SCHEMBL13387759 0.70 NQO2 (0.37) —
SCHEMBL1906671 0.70 HDAC3 (0.38) MAPK1HPGDCA1CA2
SCHEMBL1908029 0.68 ALDH1A1 (0.38) CA12CA1CA2CA9

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-8481494-B2 Compounds for the treatment of diseases related to protein misfolding UNIVERSITAT DUISBURG-ESSEN (DE) 2013-07-09 — — US disclosed
US-20120270795-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING UNIVERSITAT DUISBURG-ESSEN (DE) 2012-10-25 — — 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-20120270795-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING APP, PRNP, PSEN1 MAPK1 1482/4885HPGD 1496/4885JAK2 4183/4885

“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.

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