SCHEMBL12416627

SCHEMBL12416627

CCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCC)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
S100B P04271 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 5/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
THRB P10828 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NQO1 P15559 1/20 0.54
PKM P14618 1/20 0.54
CASP3 P42574 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
PLEC Q15149 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
RELA Q04206 2/20 0.52

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
SCHEMBL19460778 1.00 KMT2A (0.57) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL3278363 0.93 S100B (0.66) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL27622894 0.93 ALDH1A1 (0.54) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL11692696 0.93 S100B (0.66) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL11692701 0.93 S100B (0.66) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL13955784 0.93 ALDH1A1 (0.54) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL11693886 0.92 FAAH (0.53) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL10779908 0.92 GAA (0.57) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL11693880 0.92 FAAH (0.53) KMT2AS100BSMN1; SMN2ALDH1A1MEN1
SCHEMBL10779904 0.92 GAA (0.57) KMT2AS100BSMN1; SMN2ALDH1A1MEN1

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-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-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-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
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 KMT2A 2278/4885S100B 4126/4885SMN1; SMN2 1896/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 KMT2A 2278/4885S100B 4126/4885SMN1; SMN2 1896/4885

“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.