SCHEMBL12417062

SCHEMBL12417062

CCOc1ccc2ccccc2c1/C=N/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ ALDH1A1 P00352 7/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ HPGD P15428 6/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 3/20 0.47
▸ G6PD P11413 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ RRM1 P23921 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL12417065 0.88 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417042 0.84 KDM4E (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417073 0.83 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL14103569 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417059 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417067 0.83 PTGS2 (0.56) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417040 0.82 KDM4E (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417035 0.82 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417005 0.82 KDM4E (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417034 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EHPGD

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 KMT2A 2278/4885MEN1 392/4885ALDH1A1 3768/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 KMT2A 2278/4885MEN1 392/4885ALDH1A1 3768/4885

“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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