SCHEMBL13387617

SCHEMBL13387617

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.36
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL13388282 0.84 MAPK1 (0.41) MAPK1HPGDPOLBCDK2CCNA2
SCHEMBL1907701 0.80 SMN1; SMN2 (0.36) MAPTSMN1; SMN2HTT
SCHEMBL13388276 0.79 MAPK1 (0.38) MAPK1HPGDPOLBCDK2CCNA2
SCHEMBL13387504 0.79 GPR84 (0.37) POLB
SCHEMBL13387526 0.78 MAPT (0.35) HPGDPOLBMAPTCDK2CCNA2
SCHEMBL1907702 0.76 MME (0.33) SMN1; SMN2CDK2CCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1907045 0.75 SSTR3 (0.34) —
Trifluoroacetic Acid SCHEMBL13387652 0.72 CPB2 (0.40) MAPK1
SCHEMBL13387759 0.71 NQO2 (0.37) MAPT
SCHEMBL1906671 0.71 HDAC3 (0.38) MAPK1HPGD

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 1496/4885POLB 4142/4885

“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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