SCHEMBL13093172

SCHEMBL13093172

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
MAPT P10636 7/20 0.71
HTT P42858 4/20 0.71
LMNA P02545 4/20 0.71
HPGD P15428 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 4/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 2/20 0.61
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
RAB9A P51151 1/20 0.51
NOD2 Q9HC29 1/20 0.51
POLB P06746 3/20 0.51
HSP90AA1 P07900 1/20 0.50
CA1 P00915 1/20 0.49

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
SCHEMBL3677488 0.91 MEN1 (0.65) MEN1KMT2AMAPTHTTLMNA
Hydrochloric Acid SCHEMBL4185047 0.89 MEN1 (0.62) MEN1KMT2AMAPTHTTLMNA
SCHEMBL3068725 0.86 MEN1 (0.77) MEN1KMT2AMAPTHTTLMNA
SCHEMBL13093155 0.85 KMT2A (0.80) MEN1KMT2AMAPTHTTLMNA
SCHEMBL10923174 0.85 NPSR1 (0.73) MEN1KMT2AMAPTHTTLMNA
SCHEMBL3400156 0.83 KMT2A (0.68) MEN1KMT2AMAPTHTTLMNA
SCHEMBL10922273 0.83 MEN1 (0.80) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6939392 0.83 MEN1 (0.79) MEN1KMT2AMAPTHTTLMNA
Hydrochloric Acid SCHEMBL10923110 0.82 MEN1 (0.70) MEN1KMT2AMAPTHTTLMNA
SCHEMBL11644079 0.81 NPC1 (0.61) MEN1KMT2AMAPTHTTLMNA

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 3 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-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 MEN1 3934/4885KMT2A 3791/4885MAPT 869/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 MEN1 4206/4885KMT2A 3608/4885MAPT 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.