SCHEMBL12102412

SCHEMBL12102412

O=C(O)Cc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.50
CA2 P00918 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
AKR1B1 P15121 1/20 0.48
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
PTGS1 P23219 2/20 0.47
GAA P10253 2/20 0.47
ABCC4 O15439 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HIF1A Q16665 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 3/20 0.46
THPO P40225 3/20 0.46
PMP22 Q01453 3/20 0.46
GMNN O75496 1/20 0.46
CYP2D6 P10635 1/20 0.46
GABRA1 P14867 1/20 0.46

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
SCHEMBL13347482 0.89 NR3C1 (0.48) NR3C1CA2CAMK2AAKR1B1LMNA
Chlorphenacyl SCHEMBL7468547 0.83 LMNA (0.66) NR3C1CA2CAMK2AAKR1B1LMNA
SCHEMBL10521360 0.83 NR3C1 (0.49) NR3C1CA2CAMK2AAKR1B1LMNA
SCHEMBL5444108 0.80 AKR1B1 (0.59) NR3C1AKR1B1LMNATSHRPTGS1
SCHEMBL5449533 0.80 ALDH1A1 (0.61) NR3C1CA2CAMK2ALMNATSHR
SCHEMBL19643200 0.79 SMN1; SMN2 (0.74) CA2LMNATSHRALDH1A1HIF1A
SCHEMBL8725860 0.79 AOC3 (0.41) LMNATSHRPTGS1ALDH1A1HIF1A
SCHEMBL7472261 0.79 CYP4F2 (0.62) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL3729424 0.78 AOC3 (0.58) NR3C1CA2CAMK2AAKR1B1LMNA
SCHEMBL6243535 0.78 MAPT (0.44) LMNATSHRPTGS1GAAHTT

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-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

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 NR3C1 662/4885CA2 20/4885CAMK2A 333/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 NR3C1 2181/4885CA2 293/4885CAMK2A 1384/4885

“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.