SCHEMBL12102446

SCHEMBL12102446

CC(C)(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCO)CCBr

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 7/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HKDC1 Q2TB90 1/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL12102325 0.90 TDP1 (0.44) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL3423160 0.89 KMT2A (0.44) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL12102442 0.86 KMT2A (0.39) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL12102328 0.85 TDP1 (0.48) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL3421733 0.82 ALDH1A1 (0.50) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL367250 0.82 KMT2A (0.55) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL3692449 0.80 KMT2A (0.43) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL13338211 0.78 KMT2A (0.43) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL366281 0.78 KMT2A (0.51) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL13338157 0.78 KMT2A (0.43) KMT2AMEN1NPSR1HPGDALDH1A1

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 KMT2A 226/4885MEN1 2082/4885NPSR1 2062/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 KMT2A 311/4885MEN1 1809/4885NPSR1 3594/4885

“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.