SCHEMBL12416649

SCHEMBL12416649

O=[N+]([O-])c1ccc(/N=C/c2ccccc2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.69
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
FNTA P49354 1/20 0.62
FNTB P49356 1/20 0.62
CA12 O43570 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
CA1 P00915 2/20 0.61
MAOB P27338 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL2494084 0.83 SIRT2 (1.00) SIRT2CA12CA2CA9CA1
SCHEMBL2494083 0.83 SIRT2 (1.00) SIRT2CA12CA2CA9CA1
SCHEMBL22611887 0.82 FNTA (0.79) KMT2AMEN1FNTAFNTBMAOB
SCHEMBL14011737 0.82 FNTA (0.79) KMT2AMEN1FNTAFNTBMAOB
SCHEMBL469487 0.82 FNTA (0.63) SIRT2KMT2AMEN1CASP3SENP8
SCHEMBL13786955 0.82 CA12 (0.60) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL12485500 0.82 CA12 (0.60) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL12851354 0.81 ALDH1A1 (0.52) SIRT2KMT2AMEN1CASP3SENP8
Acetic Acid SCHEMBL1227199 0.81 SIRT2 (0.73) SIRT2FNTAFNTBCA12CA2
SCHEMBL12416775 0.80 FNTA (0.76) KMT2AMEN1FNTAFNTBMAOB

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 SIRT2 2001/4885KMT2A 2278/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 SIRT2 2001/4885KMT2A 2278/4885MEN1 392/4885

“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.