SCHEMBL3082235

SCHEMBL3082235

Nc1ccc(Sc2ccc(NC(=O)CNC(=O)c3ccc(O)cc3O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.46
KLKB1 P03952 3/20 0.45
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
SNCA P37840 1/20 0.39
KMT2A Q03164 3/20 0.38
PDK1 Q15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLG P00747 3/20 0.37
KLK1 P06870 3/20 0.37

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
SCHEMBL9323451 0.75 SNCA (0.58) KLKB1ALOX15SNCAKMT2AMAPT
SCHEMBL4758489 0.74 ALDH1A1 (0.72) ALDH1A1GFERALOX15KMT2AMAPT
SCHEMBL3138003 0.70 MEN1 (0.48) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9806582 0.69 KLKB1 (0.62) ALDH1A1GFERKLKB1ALOX15NPC1
SCHEMBL6315569 0.69 KLKB1 (0.77) ALDH1A1KLKB1RAB9ASNCAKMT2A
SCHEMBL9321322 0.69 SNCA (0.60) NPC1MITFXBP1RAB9ANPSR1
SCHEMBL2270561 0.69 LMNA (0.68) ALDH1A1GFERKLKB1ALOX15SNCA
SCHEMBL23484439 0.67 ALDH1A1 (0.69) ALDH1A1GFERALOX15KMT2AMAPT
SCHEMBL7898215 0.67 ALDH1A1 (0.59) ALDH1A1GFERALOX15KMT2AMAPT
SCHEMBL24203607 0.66 POLB (0.79) NPC1RAB9ASNCAKMT2AMAPT

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 6 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-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 ALDH1A1 4595/4885GFER 3437/4885KLKB1 4583/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 ALDH1A1 4719/4885GFER 4436/4885KLKB1 4435/4885

“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.