SCHEMBL12416588

SCHEMBL12416588

Cc1ccc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.51
▸ KDM4E B2RXH2 8/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ POLB P06746 5/20 0.49
▸ ALDH1A1 P00352 8/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ GAA P10253 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ BLM P54132 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL12754141 0.88 GAA (0.50) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL12507664 0.87 RAB9A (0.46) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL14104213 0.83 MAPT (0.57) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL22448565 0.80 RAB9A (0.49) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL6721119 0.76 KDM4E (0.69) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL15559041 0.70 KMT2A (0.51) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL15559039 0.70 KMT2A (0.51) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL19213006 0.69 MAPT (0.60) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL15558824 0.68 CTH (0.54) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL15558826 0.68 CTH (0.54) MAPTKDM4ERAB9ANPC1ALDH1A1

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 3 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-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 3638/4885KDM4E 3451/4885RAB9A 3957/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885KDM4E 3451/4885RAB9A 3957/4885

“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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