SCHEMBL13983293

SCHEMBL13983293

COc1ccc(-c2cccc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.47
▸ HTR7 P34969 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.40

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
SCHEMBL31006744 0.84 APP (0.49) APPHTR7ALDH1A1MAPTABL1
SCHEMBL28233631 0.83 HTR7 (0.52) APPHTR7ALDH1A1ABL1ABCB1
SCHEMBL13982736 0.82 NPC1 (0.50) APPTLR8MAPT
SCHEMBL28185641 0.82 APP (0.47) APPHTR7ALDH1A1MAPTABL1
SCHEMBL4583260 0.80 ALDH1A1 (0.53) TLR8ALDH1A1MAPTHPGDPKM
SCHEMBL13982792 0.80 MAPT (0.45) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL13982734 0.80 GRIN2D (0.42) TLR8ALDH1A1MAPTABL1ABCB1
SCHEMBL4932114 0.77 KMT2A (0.43) APPHTR7ALDH1A1MAPTKDM4E
SCHEMBL2495875 0.76 HSD17B10 (0.46) TLR8ALDH1A1MAPTKDM4EPKM
SCHEMBL16174819 0.75 GAA (0.53) ALDH1A1MAPTKDM4EPKMMAPK1

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-20180053904-A1 TETRADENTATE PLATINUM (II) AND PALLADIUM (II) COMPLEXES AND OCTAHEDRAL IRIDIUM COMPLEXES EMPLOYING AZEPINE FUNCTIONAL GROUPS AND THEIR ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-02-22 — — US disclosed
WO-2008156656-A2 METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2008-12-24 — — WO 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-20180053904-A1 TETRADENTATE PLATINUM (II) AND PALLADIUM (II) COMPLEXES AND OCTAHEDRAL IRIDIUM COMPLEXES EMPLOYING AZEPINE FUNCTIONAL GROUPS AND THEIR ANALOGUES AZI2, TPO, LAGE3 APP 2782/4885HTR7 2141/4885TLR8 4752/4885

“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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