SCHEMBL12416797

SCHEMBL12416797

CN(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
FNTA P49354 1/20 0.63
FNTB P49356 1/20 0.63
MAPT P10636 9/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
HCRTR1 O43613 1/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 4/20 0.59
HPGD P15428 2/20 0.59
MAOB P27338 1/20 0.57
PKM P14618 1/20 0.52
ERN1 O75460 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL1949783 0.85 FNTA (0.67) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL1949785 0.85 FNTA (0.67) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL22624833 0.85 FNTA (0.70) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL1950800 0.83 FNTA (0.67) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL22624760 0.83 FNTA (0.67) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL1950799 0.83 FNTA (0.67) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL22611887 0.82 FNTA (0.79) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL14011737 0.82 FNTA (0.79) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL22624740 0.82 MAOB (0.67) POLBFNTAFNTBMAPTSMN1; SMN2
SCHEMBL22624745 0.82 FNTA (0.63) POLBFNTAFNTBMAPTSMN1; SMN2

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 POLB 4419/4885FNTA 2973/4885FNTB 3777/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 POLB 4419/4885FNTA 2973/4885FNTB 3777/4885

“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.