SCHEMBL7915397

SCHEMBL7915397

Nc1ncn([C@H]2C[C@H](O)[C@@H](COC(=O)CCCCCCC(=O)NO)O2)c(=O)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.58
ADRB1 P08588 1/20 0.58
POLB P06746 3/20 0.40
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
ABCB1 P08183 5/20 0.39
NT5E P21589 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.37

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
SCHEMBL12102516 0.86 POLB (0.54) DNMT1ADRB1POLBLMNAMTOR
SCHEMBL7913995 0.84 GMNN (0.57) DNMT1GMNNALDH1A1LMNATP53
SCHEMBL10064053 0.81 DNMT1 (0.70) DNMT1ADRB1POLBGMNNALDH1A1
SCHEMBL19780574 0.78 ADRB1 (0.49) DNMT1ADRB1POLBABCB1ABCG2
SCHEMBL19283452 0.78 DNMT1 (0.76) DNMT1ADRB1POLBGMNNALDH1A1
SCHEMBL7905689 0.78 DNMT1 (0.60) DNMT1ADRB1LMNATP53HTT
SCHEMBL16366026 0.77 DNMT1 (0.74) DNMT1ADRB1POLBGMNNALDH1A1
SCHEMBL10064225 0.77 DNMT1 (0.74) DNMT1ADRB1POLBGMNNALDH1A1
Decitabine SCHEMBL1963202 0.77 DNMT1 (0.85) DNMT1ADRB1GMNNALDH1A1LMNA
SCHEMBL5076376 0.77 DNMT1 (0.73) DNMT1ADRB1POLBGMNNALDH1A1

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 DNMT1 1391/4885ADRB1 4787/4885POLB 2348/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 DNMT1 855/4885ADRB1 4882/4885POLB 719/4885

“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.