SCHEMBL4294932

SCHEMBL4294932

CC(C)(C)OC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 2/20 0.43
ACACB O00763 3/20 0.43
ACACA Q13085 3/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4294931 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL4762127 0.98 ALDH1A1 (0.49) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL13419653 0.95 ALDH1A1 (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL13419563 0.94 ALDH1A1 (0.49) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31333813 0.90 ALDH1A1 (0.44) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL4256277 0.90 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKMT2ADRD2
SCHEMBL4256281 0.90 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKMT2ADRD2
SCHEMBL13419655 0.89 MAPT (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334397 0.87 DRD2 (0.59) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334991 0.86 DRD2 (0.47) ALDH1A1MAPTLMNATHRBKMT2A

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-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885MAPT 4710/4885LMNA 2658/4885

“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.