SCHEMBL12507664

SCHEMBL12507664

O=Nc1ccc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ MEN1 O00255 9/20 0.45
▸ KMT2A Q03164 9/20 0.45
▸ GAA P10253 8/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 10/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ PRMT5 O14744 1/20 0.39

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
SCHEMBL12416588 0.87 MAPT (0.51) RAB9APOLBMEN1KMT2AGAA
SCHEMBL12754141 0.86 GAA (0.50) RAB9APOLBMEN1KMT2AGAA
SCHEMBL14104213 0.84 MAPT (0.57) RAB9APOLBMEN1KMT2AGAA
SCHEMBL6721119 0.77 KDM4E (0.69) RAB9APOLBMEN1KMT2AGAA
SCHEMBL15559041 0.69 KMT2A (0.51) RAB9APOLBMEN1KMT2AGAA
SCHEMBL15558824 0.68 CTH (0.54) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL15558826 0.68 CTH (0.54) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL16922115 0.66 GAA (0.56) RAB9APOLBMEN1KMT2AGAA
SCHEMBL22448565 0.66 RAB9A (0.49) RAB9APOLBMEN1KMT2AGAA
SCHEMBL15548998 0.66 CTH (0.56) RAB9APOLBMEN1KMT2AGAA

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 RAB9A 3957/4885POLB 4419/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 RAB9A 3957/4885POLB 4419/4885MEN1 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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