SCHEMBL12417099

SCHEMBL12417099

COc1cc(OC)nc(Oc2ccccc2/C=N/c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9733114 1.00 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL9733108 1.00 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL12417128 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL12417127 0.90 CYP1A2 (0.51) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL12417108 0.90 MAPT (0.49) ALDH1A1NPSR1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL9733145 0.90 MAPT (0.49) ALDH1A1NPSR1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL9733142 0.90 MAPT (0.49) ALDH1A1NPSR1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL9732965 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL9732967 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL12417113 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9

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 ALDH1A1 3768/4885NPSR1 814/4885SMN1; SMN2 1896/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885NPSR1 814/4885SMN1; 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.