SCHEMBL13093135

SCHEMBL13093135

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
MAPT P10636 6/20 0.60
HPGD P15428 3/20 0.60
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 4/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
POLB P06746 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL3087514 0.87 MEN1 (0.62) KMT2AMEN1MAPTHPGDHTT
SCHEMBL3082583 0.85 MEN1 (0.60) KMT2AMEN1MAPTHPGDHTT
SCHEMBL13297367 0.82 NPC1 (0.43) KMT2AMEN1MAPTHPGDHTT
SCHEMBL8693590 0.81 CA1 (0.54) KMT2AMEN1MAPTHPGDLMNA
SCHEMBL20467732 0.79 HTR2A (0.54) KMT2AMEN1MAPTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL10923110 0.79 MEN1 (0.70) KMT2AMEN1MAPTHPGDHTT
SCHEMBL15145789 0.79 MEN1 (0.58) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL1532248 0.79 KMT2A (0.59) KMT2AMEN1MAPTHPGDHTT
SCHEMBL10847865 0.78 CA1 (0.46) KMT2AMEN1LMNAALDH1A1CA1
SCHEMBL13093155 0.78 KMT2A (0.80) KMT2AMEN1MAPTHPGDHTT

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-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules THE BURNHAM INSTITUTE 2010-10-14 US disclosed
US-7741521-B2 4-phenylsulfanyl-phenylamine derivatives used as BH3 Interacting Domain Death Antagonist (BID), for the treatment of neurodegenerative diseases, liver inflammation, multiple sclerosis, heart disease, ischemic injury and for controlling apoptotic cascade THE BURNHAM INSTITUTE (US) 2010-06-22 US disclosed
US-7741521-B2 4-phenylsulfanyl-phenylamine derivatives used as BH3 Interacting Domain Death Antagonist (BID), for the treatment of neurodegenerative diseases, liver inflammation, multiple sclerosis, heart disease, ischemic injury and for controlling apoptotic cascade THE BURNHAM INSTITUTE (US) 2010-06-22 US disclosed
US-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus THE BURNHAM INSTITUTE (US) 2007-08-09 US disclosed
US-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus THE BURNHAM INSTITUTE (US) 2007-08-09 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-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus BID, BAD, TMBIM6 KMT2A 3791/4885MEN1 3934/4885MAPT 869/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 KMT2A 3608/4885MEN1 4206/4885MAPT 1054/4885

“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.