SCHEMBL12417168

SCHEMBL12417168

NC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.82
▸ MEN1 O00255 11/20 0.82
▸ KMT2A Q03164 11/20 0.82
▸ ALDH1A1 P00352 4/20 0.82
▸ LMNA P02545 2/20 0.82
▸ HPGD P15428 1/20 0.82
▸ ALOX12 P18054 1/20 0.82
▸ NPSR1 Q6W5P4 1/20 0.82
▸ HTT P42858 3/20 0.75
▸ MAPK1 P28482 2/20 0.75
▸ RAB9A P51151 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ CTDSP1 Q9GZU7 1/20 0.71
▸ SAE1 Q9UBE0 1/20 0.71
▸ UBA2 Q9UBT2 1/20 0.71
▸ MCL1 Q07820 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.68
▸ KDM4E B2RXH2 2/20 0.64
▸ CYP3A4 P08684 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL12417177 0.90 MAPT (1.00) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL14103581 0.90 MAPT (0.66) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL16063975 0.89 MAPT (0.75) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12417172 0.86 MAPT (1.00) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL16063977 0.83 MEN1 (0.80) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL16063976 0.81 MAPT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12417203 0.81 MAPT (0.74) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13954975 0.80 PRMT5 (0.75) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL20299333 0.80 MAPT (0.66) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL14103580 0.80 MAPT (0.82) MAPTMEN1KMT2AALDH1A1LMNA

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885MEN1 392/4885KMT2A 2278/4885

“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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