SCHEMBL13387526

SCHEMBL13387526

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ ALPL P05186 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ CCNA2 P20248 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNA1 P78396 3/20 0.32
▸ MITF O75030 1/20 0.32
▸ MME P08473 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1907701 0.88 SMN1; SMN2 (0.36) MAPTALPLLMNAMEN1KMT2A
SCHEMBL1907702 0.85 MME (0.33) ALPLCCNA2CDK2CCNA1MME
SCHEMBL13387504 0.84 GPR84 (0.37) LMNAPOLBKMT2AHDAC3HDAC4
SCHEMBL1908029 0.79 ALDH1A1 (0.38) MAPTALPLLMNAHDAC3HDAC4
SCHEMBL13387759 0.78 NQO2 (0.37) MAPTALPLMEN1KMT2AHDAC3
SCHEMBL1906671 0.75 HDAC3 (0.38) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL13256448 0.75 CCNA2 (0.53) MAPTLMNACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL1907045 0.75 SSTR3 (0.34) MME
SCHEMBL1907047 0.72 — —
SCHEMBL19101944 0.71 DYRK1A (0.38) MAPTCCNA2CDK2CCNA1MEN1

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 MAPT 5/4885PDE5A 2142/4885ALPL 4781/4885

“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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