SCHEMBL7365791

SCHEMBL7365791

CNC(=O)C(=O)CCCCCCc1nnc(-c2cccs2)o1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ADCY1 Q08828 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
SCHEMBL7366770 0.80 HDAC1 (0.65) HDAC1HDAC2ALDH1A1L3MBTL1RAB9A
SCHEMBL7364106 0.72 KDM4E (0.57) HDAC1HDAC2ALDH1A1HPGDL3MBTL1
SCHEMBL4495339 0.71 ALDH1A1 (0.56) ALDH1A1HPGDL3MBTL1SMN1; SMN2TP53
SCHEMBL15029055 0.69 HPGD (0.60) ALDH1A1HPGDL3MBTL1SMN1; SMN2TP53
SCHEMBL2162221 0.68 CES1 (0.72)
SCHEMBL4507350 0.67 SMN1; SMN2 (0.64) ALDH1A1HPGDL3MBTL1SMN1; SMN2TP53
SCHEMBL30343026 0.66 HPGD (0.64) ALDH1A1HPGDL3MBTL1SMN1; SMN2TP53
SCHEMBL2706034 0.66 HPGD (0.60) ALDH1A1HPGDL3MBTL1SMN1; SMN2TP53
SCHEMBL29032386 0.66 HPGD (0.60) ALDH1A1HPGDL3MBTL1SMN1; SMN2TP53
SCHEMBL29032438 0.66 ALDH1A1 (0.56) HDAC1ALDH1A1HPGDL3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885ALDH1A1 302/4885

“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.