SCHEMBL22249685

SCHEMBL22249685

O=[N+]([O-])c1cnc2oc3cc4c5ccccc5c5ccccc5c4cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
IDO1 P14902 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.43
EGFR P00533 4/20 0.38
IGF1R P08069 4/20 0.38
S100A4 P26447 1/20 0.38
HNF4A P41235 1/20 0.38
PARP1 P09874 2/20 0.37
TNKS O95271 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KAT2B Q92831 2/20 0.36

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
SCHEMBL3376823 0.87 MEN1 (0.56) MEN1KMT2AIDO1MAPTALDH1A1
SCHEMBL22249800 0.78 EGFR (0.49) MEN1KMT2AIDO1ALDH1A1EGFR
SCHEMBL22249803 0.77 NPC1 (0.41) MEN1KMT2AIDO1MAPTALDH1A1
SCHEMBL22249798 0.75 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1PARP1
SCHEMBL22250026 0.75 IDO1 (0.39) MEN1KMT2AIDO1ALDH1A1IGF1R
SCHEMBL22249796 0.70 KDM4E (0.36) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL22249696 0.69 LPL (0.37) EGFR
SCHEMBL15486513 0.69 MAPT (0.63) MEN1KMT2AIDO1MAPTALDH1A1
SCHEMBL311661 0.68 S100A4 (0.68) MEN1KMT2AMAPTALDH1A1S100A4
SCHEMBL15532752 0.67 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200235306-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 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-20200235306-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME OR10J3, PIEZO1, ODC1 MEN1 589/4885KMT2A 3007/4885IDO1 2143/4885

“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.