SCHEMBL7913995

SCHEMBL7913995

Nc1ncn([C@@H]2O[C@H](COC(=O)CCCCCCC(=O)NO)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
NFKB1 P19838 1/20 0.57
DNMT1 P26358 1/20 0.57
THPO P40225 1/20 0.57
MTOR P42345 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
BLM P54132 1/20 0.57
HBB P68871 1/20 0.57
PMP22 Q01453 1/20 0.57
PRKACA P17612 2/20 0.46
HINT1 P49773 3/20 0.45
KRAS P01116 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
SCHEMBL7916016 0.85 LMNA (0.57) LMNAMTOR
SCHEMBL12104058 0.85 LMNA (0.57) LMNAMTOR
SCHEMBL7905695 0.85 LMNA (0.57) LMNAMTOR
SCHEMBL12102510 0.85 LMNA (0.57) LMNAMTOR
SCHEMBL2101706 0.84 GMNN (0.53) GMNNALDH1A1LMNATP53NFKB1
SCHEMBL2101707 0.84 GMNN (0.53) GMNNALDH1A1LMNATP53NFKB1
SCHEMBL27811919 0.84 GMNN (0.53) GMNNALDH1A1LMNATP53NFKB1
SCHEMBL2101705 0.84 GMNN (0.53) GMNNALDH1A1LMNATP53NFKB1
SCHEMBL7915397 0.84 DNMT1 (0.58) GMNNALDH1A1LMNATP53NFKB1
SCHEMBL12102270 0.81 P2RY6 (0.47) LMNAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed
US-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed
US-9096627-B2 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2015-08-04 US disclosed
US-9096627-B2 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2015-08-04 US disclosed
US-20140066419-A1 HYDROXAMIC ACID DERIVATIVES PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2014-03-06 US disclosed
US-20140066419-A1 HYDROXAMIC ACID DERIVATIVES PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2014-03-06 US disclosed
US-20110269706-A1 Hydroxamic Acid Derivatives NORTHLAKE BIOSCIENCES LLC (US) 2011-11-03 US disclosed
US-20110269706-A1 Hydroxamic Acid Derivatives NORTHLAKE BIOSCIENCES LLC (US) 2011-11-03 US disclosed
WO-2010085377-A2 HYDROXAMIC ACID DERIVATIVES CRYSTAL BIOPHARMACEUTICAL LLC (US) 2010-07-29 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 (2 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-20140066419-A1 HYDROXAMIC ACID DERIVATIVES HDAC5, HDAC7, HDAC4 GMNN 4380/4885ALDH1A1 1017/4885LMNA 2696/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 GMNN 3462/4885ALDH1A1 689/4885LMNA 3497/4885

“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.