SCHEMBL2733478

SCHEMBL2733478

[C-]#[N+]c1c(NC(=O)OCCN2CCOCC2)sc(Cc2ccc(C(=O)O)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2733655 0.86 HDAC1 (0.48) ALDH1A1RAB9AGAA
SCHEMBL212261 0.84 MAP2K1 (0.42) ATMALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL2734436 0.77 MAPT (0.50) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL2734197 0.77 ALDH1A1 (0.40) ATMALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL10272799 0.74 KDM4E (0.41) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL212292 0.73 MAP2K1 (0.40) ATMALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL17202971 0.72 ATM (0.56) ATMALDH1A1KDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL17202790 0.71 ATM (0.55) ATMALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL2734086 0.68 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL14425112 0.66 KDM4E (0.50) ALDH1A1L3MBTL1KDM4ESMN1; SMN2KMT2A

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ATM 2210/4885ALDH1A1 680/4885L3MBTL1 1887/4885

“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.