SCHEMBL12102448

SCHEMBL12102448

CS(=O)(=O)OCCN(CCBr)c1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.37
TP53 P04637 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.33
AKR1B1 P15121 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 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
SCHEMBL3698544 0.95 KMT2A (0.47) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL2962259 0.91 ALDH1A1 (0.43) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL12102445 0.91 KMT2A (0.42) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL13338203 0.90 KMT2A (0.43) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL3688111 0.88 KMT2A (0.45) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL12102442 0.87 KMT2A (0.39) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL5676195 0.86 KMT2A (0.37) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL5676198 0.86 KMT2A (0.37) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL13202982 0.86 ALDH1A1 (0.39) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL3692467 0.86 KMT2A (0.43) KMT2AMEN1HPGDNPSR1ALDH1A1

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 7 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

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 2082/4885HPGD 80/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 KMT2A 311/4885MEN1 1809/4885HPGD 64/4885

“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.