SCHEMBL12102445

SCHEMBL12102445

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
HKDC1 Q2TB90 1/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
CCR6 P51684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL18082006 0.91 MEN1 (0.31) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL12102448 0.91 KMT2A (0.43) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL2962259 0.90 ALDH1A1 (0.43) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL3688111 0.87 KMT2A (0.45) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL12102442 0.86 KMT2A (0.39) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL13202982 0.85 ALDH1A1 (0.39) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL3698544 0.85 KMT2A (0.47) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL366334 0.85 KMT2A (0.38) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL3692467 0.85 KMT2A (0.43) KMT2ANPSR1MEN1HPGDHKDC1
SCHEMBL25617467 0.85 L3MBTL1 (0.43) KMT2ANPSR1MEN1HPGDHTT

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

“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.