SCHEMBL5285266

SCHEMBL5285266

CON(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 3/20 0.40
NR1D1 P20393 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL27792480 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6916032 0.86 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6349781 0.83 MAPT (0.46) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL27576600 0.82 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL5488813 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL380709 0.82 ALDH1A1 (0.57) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL1954194 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL3010109 0.81 ALDH1A1 (0.46) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL4696167 0.80 ALDH1A1 (0.53) ALDH1A1MAPTGAASMN1; SMN2POLB
SCHEMBL19205975 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNAGAASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885MAPT 3848/4885LMNA 851/4885

“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.