SCHEMBL12416695

SCHEMBL12416695

CCOc1ccc(/N=C/c2cc(Br)ccc2O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.70
▸ ALDH1A1 P00352 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ THRB P10828 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ LMNA P02545 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ MAOA P21397 1/20 0.53
▸ TSHR P16473 2/20 0.50
▸ PTK6 Q13882 1/20 0.50
▸ EGFR P00533 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL12416699 0.85 LMNA (0.67) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL10431685 0.80 MAOB (0.70) MAOBKDM4EMAPTGAALMNA
SCHEMBL12584903 0.80 SMN1; SMN2 (0.72) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL14103565 0.79 SMN1; SMN2 (0.77) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL31502131 0.77 ALDH1A1 (0.70) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL30342922 0.77 ALDH1A1 (0.70) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL12417018 0.77 MAPT (0.57) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL1527094 0.77 SMN1; SMN2 (0.72) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL12416714 0.77 LMNA (1.00) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL1527098 0.77 SMN1; SMN2 (0.72) MAOBALDH1A1KDM4EMAPTMEN1

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 MAOB 4398/4885ALDH1A1 3768/4885KDM4E 3451/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAOB 4398/4885ALDH1A1 3768/4885KDM4E 3451/4885

“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.

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