SCHEMBL12417175

SCHEMBL12417175

Clc1cccc(-c2ccc(/C=N/Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.61
▸ KMT2A Q03164 9/20 0.61
▸ MEN1 O00255 8/20 0.61
▸ NPSR1 Q6W5P4 6/20 0.61
▸ GAA P10253 4/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ MAPK1 P28482 3/20 0.56
▸ RECQL P46063 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 7/20 0.51
▸ HTT P42858 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ POLB P06746 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CRHBP P24387 2/20 0.49
▸ CRHR2 Q13324 2/20 0.49
▸ CYP3A4 P08684 2/20 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
SCHEMBL12417187 0.94 MAPT (0.65) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417173 0.92 MAPT (0.56) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417208 0.86 MAPT (0.59) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL11913670 0.86 MAPT (0.58) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417160 0.86 MAPT (0.60) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL11913677 0.85 MAPT (0.65) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417202 0.82 MAPT (0.62) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL11918184 0.81 MAPT (0.65) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL8241062 0.80 MAPT (0.56) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL14103591 0.78 MAPT (0.51) MAPTKMT2AMEN1NPSR1GAA

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 4 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-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 MAPT 3638/4885KMT2A 2278/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885KMT2A 2278/4885MEN1 392/4885

“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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