SCHEMBL916697

SCHEMBL916697

CCOC(=O)CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL522710 0.83 PIN1 (0.62) ALDH1A1KDM4EKMT2A
SCHEMBL918351 0.83 HDAC3 (0.56) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL917824 0.83 SMN1; SMN2 (0.64) POLBKDM4EPKMMEN1KMT2A
SCHEMBL918146 0.83 SMN1; SMN2 (0.64) POLBKDM4EPKMMEN1KMT2A
SCHEMBL4231048 0.82 SMN1; SMN2 (0.62) ALDH1A1POLBKDM4EPKMMEN1
SCHEMBL13202079 0.82 ACHE (0.57) POLB
SCHEMBL8095237 0.82 ACHE (0.57) POLB
SCHEMBL1573660 0.82 ACHE (0.57) POLB
SCHEMBL18954535 0.81 CASP1 (0.52) ALDH1A1POLBKDM4EMAPTMEN1
SCHEMBL3860903 0.81 FTO (0.48) ALDH1A1POLBKDM4EMAPTMEN1

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-20110003878-A1 NOVEL DERIVATIVES OF PHTHALIMIDE AS HISTONE DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2011-01-06 US disclosed
EP-2045239-A1 NOVEL DERIVATIVES OF PHTHALIMIDE AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 EP 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-20110003878-A1 NOVEL DERIVATIVES OF PHTHALIMIDE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC11 ALDH1A1 340/4885POLB 624/4885KDM4E 134/4885

“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.