SCHEMBL8120069

SCHEMBL8120069

CNC(=O)C1CCN(C(C(=O)NO)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42
LTA4H P09960 1/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 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
SCHEMBL8109453 0.83 TSHR (0.45) TSHRALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL4536069 0.80 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4CYP2C19GAA
SCHEMBL2842489 0.80 TSHR (0.52) TSHRALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL4536524 0.80 TSHR (0.56) TSHRALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL2839009 0.77 SLC6A2 (0.54) TSHRKMT2AMEN1
SCHEMBL27798401 0.77 ALDH1A1 (0.66) TSHRALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL2846505 0.77 GAA (0.68) TSHRALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL28709245 0.77 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2838023 0.76 HRH1 (0.51) TSHRALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL28785742 0.75 TSHR (0.48) TSHRALDH1A1SMN1; SMN2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 TSHR 3972/4885ALDH1A1 532/4885SMN1; SMN2 3638/4885

“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.