SCHEMBL12416705

SCHEMBL12416705

Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.63
KMT2A Q03164 13/20 0.63
HSP90AA1 P07900 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.56
APAF1 O14727 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 8/20 0.52
PLA2G1B P04054 3/20 0.51
ATG4B Q9Y4P1 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ACHE P22303 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 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
SCHEMBL12443191 0.85 MEN1 (0.59) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL12416740 0.82 MAPT (0.55) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL15600610 0.82 MEN1 (0.56) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL12416799 0.80 MAPT (0.55) MEN1KMT2AHSP90AA1ALDH1A1LMNA
SCHEMBL16321164 0.79 MEN1 (0.53) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL17105862 0.79 MEN1 (0.56) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL12416709 0.79 MEN1 (0.56) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL17105863 0.79 MEN1 (0.56) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL16321165 0.79 MEN1 (0.53) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL11409441 0.79 MEN1 (0.46) MEN1KMT2AHSP90AA1ALDH1A1HPGD

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 MEN1 392/4885KMT2A 2278/4885HSP90AA1 3201/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MEN1 392/4885KMT2A 2278/4885HSP90AA1 3201/4885

“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.