SCHEMBL12356409

SCHEMBL12356409

CC(C)C[C@H](C(O)N1CCN(c2ncccn2)CC1)[C@@H](O)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38

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
SCHEMBL2549968 0.81 MMP2 (0.62) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL2243308 0.81 MMP2 (0.62) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL2250425 0.72 MMP2 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL11988509 0.72 MMP2 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL10530529 0.72 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL2545875 0.70 MAPK1 (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL2246989 0.70 MAPK1 (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL10861692 0.70 MEN1 (0.50) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL10861683 0.70 MEN1 (0.50) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL2250632 0.69 MMP1 (0.57) ALDH1A1KDM4EKMT2AMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — 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-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ALDH1A1 313/4885KDM4E 2486/4885SMN1; SMN2 1306/4885

“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.

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