SCHEMBL12416775

SCHEMBL12416775

O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.76
FNTB P49356 1/20 0.76
MAOB P27338 1/20 0.68
MAPT P10636 8/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 4/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 3/20 0.60
RAB9A P51151 3/20 0.60
HPGD P15428 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HTT P42858 3/20 0.57
HCRTR1 O43613 1/20 0.57
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CCR6 P51684 1/20 0.54

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
SCHEMBL22611887 0.95 FNTA (0.79) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL14011737 0.95 FNTA (0.79) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL22624809 0.90 FNTA (0.76) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL22624833 0.86 FNTA (0.70) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL22624804 0.85 FNTA (0.65) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL7825486 0.84 FNTA (0.80) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL7825489 0.84 FNTA (0.80) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL1950799 0.84 FNTA (0.67) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL1949783 0.84 FNTA (0.67) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL1949785 0.84 FNTA (0.67) FNTAFNTBMAOBMAPTALDH1A1

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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 FNTA 2973/4885FNTB 3777/4885MAOB 4398/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 FNTA 2973/4885FNTB 3777/4885MAOB 4398/4885

“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.