SCHEMBL1907701

SCHEMBL1907701

O=C(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 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PYGL P06737 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 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
SCHEMBL13387526 0.88 MAPT (0.35) PYGLALPLMAPTHDAC3HDAC4
SCHEMBL1907702 0.85 MME (0.33) SMN1; SMN2PYGLALPLHDAC3HDAC4
SCHEMBL13387504 0.84 GPR84 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1906671 0.83 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13387759 0.82 NQO2 (0.37) ALPLMAPTHDAC3HDAC4HDAC1
SCHEMBL13387617 0.80 MAPK1 (0.36) SMN1; SMN2MAPTHTT
SCHEMBL13387620 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALPLMAPTMEN1KMT2A
SCHEMBL1908029 0.78 ALDH1A1 (0.38) SMN1; SMN2ALPLMAPTHDAC3HDAC4
Trifluoroacetic Acid SCHEMBL1907045 0.77 SSTR3 (0.34) —
SCHEMBL19101944 0.74 DYRK1A (0.38) MAPTMEN1KMT2A

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 4 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
EP-2493859-A1 NEW COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING Universität Duisburg-Essen (DE) 2012-09-05 — — EP disclosed
WO-2011050864-A1 NEW COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING Universität Duisburg-Essen (DE) 2011-05-05 — — WO 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 SMN1; SMN2 472/4885PYGL 1650/4885ALPL 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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