SCHEMBL12416624

SCHEMBL12416624

COc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.66
PTGS2 P35354 2/20 0.57
CA2 P00918 2/20 0.57
PTGS1 P23219 1/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 7/20 0.55
GAA P10253 6/20 0.55
KDM4E B2RXH2 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
TRPA1 O75762 1/20 0.50
MAPT P10636 7/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
PKM P14618 2/20 0.49
THRB P10828 1/20 0.49
CASP3 P42574 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL2452017 1.00 S100B (0.66) S100BPTGS2CA2PTGS1CA12
SCHEMBL5718585 1.00 S100B (0.66) S100BPTGS2CA2PTGS1CA12
SCHEMBL443413 0.93 S100B (0.69) S100BPTGS2CA2PTGS1CA12
SCHEMBL443412 0.93 S100B (0.69) S100BPTGS2CA2PTGS1CA12
SCHEMBL3131079 0.90 S100B (0.69) S100BPTGS2CA2PTGS1CA12
SCHEMBL3131073 0.90 S100B (0.69) S100BPTGS2CA2PTGS1CA12
SCHEMBL10733285 0.88 S100B (0.82) S100BPTGS2CA2PTGS1CA12
SCHEMBL12416630 0.88 S100B (0.82) S100BPTGS2CA2PTGS1CA12
SCHEMBL10412841 0.88 S100B (0.82) S100BPTGS2CA2PTGS1CA12
SCHEMBL10733277 0.88 S100B (0.82) S100BPTGS2CA2PTGS1CA12

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 S100B 4126/4885PTGS2 1147/4885CA2 2958/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 S100B 4126/4885PTGS2 1147/4885CA2 2958/4885

“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.