SCHEMBL12416604

SCHEMBL12416604

COc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 3/20 0.54
ALDH1A1 P00352 9/20 0.52
S100B P04271 1/20 0.50
MAPT P10636 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 3/20 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
SCHEMBL5350351 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL225068 0.84 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL226567 0.84 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL12416593 0.84 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL226568 0.84 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL225067 0.84 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL12416590 0.82 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL2454306 0.80 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL2454305 0.80 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL225263 0.77 MAPT (0.62) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1

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 CYP1A2 3482/4885CYP3A4 1829/4885CYP2C19 4399/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CYP1A2 3482/4885CYP3A4 1829/4885CYP2C19 4399/4885

“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.