SCHEMBL7905689

SCHEMBL7905689

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.60
ADRB1 P08588 1/20 0.60
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
PNP P00491 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL12104062 0.82 LMNA (0.58) DNMT1LMNATP53HTTSMN1; SMN2
SCHEMBL13984568 0.82 DNMT1 (0.50) DNMT1ADRB1PNPLMNATP53
SCHEMBL14089414 0.82 DNMT1 (0.52) DNMT1ADRB1PIM1CSNK2A2CSNK2B
SCHEMBL12746575 0.80 DNMT1 (0.64) DNMT1ADRB1PIM1CSNK2A2CSNK2B
SCHEMBL3280007 0.80 DNMT1 (0.59) DNMT1ADRB1PIM1CSNK2A2CSNK2B
SCHEMBL3280010 0.80 DNMT1 (0.59) DNMT1ADRB1PIM1CSNK2A2CSNK2B
SCHEMBL17359215 0.79 ADRB1 (0.69) DNMT1ADRB1PIM1CSNK2A2CSNK2B
SCHEMBL14089658 0.79 ADRB1 (0.47) DNMT1ADRB1LMNA
SCHEMBL14089974 0.79 DNMT1 (0.57) DNMT1ADRB1PIM1CSNK2A2CSNK2B
SCHEMBL7915397 0.78 DNMT1 (0.58) DNMT1ADRB1LMNATP53HTT

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 5 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-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-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 4787/4885PIM1 3760/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 DNMT1 855/4885ADRB1 4882/4885PIM1 2288/4885

“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.