SCHEMBL22155779

SCHEMBL22155779

O=[N+]([O-])c1cc(Cl)ccc1-c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPK1 P28482 4/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPRT1 P00492 1/20 0.41
VCAM1 P19320 1/20 0.41
PDE7A Q13946 4/20 0.40
PDE7B Q9NP56 2/20 0.40
KIF18A Q8NI77 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
SCHEMBL22155632 0.90 MAPK1 (0.45) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL25561307 0.83 MAPK1 (0.52) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL15906929 0.83 S100A4 (0.43) RAB9ANPC1HPGDMAPTMAPK1
SCHEMBL17035132 0.82 ALDH1A1 (0.53) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL2601574 0.82 ALDH1A1 (0.51) RAB9ANPC1MAPTTSHRMEN1
SCHEMBL2601602 0.81 CRHBP (0.44) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL6125034 0.79 MAPK1 (0.63) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL22155094 0.77 MAPT (0.50) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL14330622 0.76 ALDH1A1 (0.40) RAB9AHPGDMAPTMAPK1SMN1; SMN2
SCHEMBL10019777 0.76 S100A4 (0.43) RAB9ANPC1MAPTMAPK1LMNA

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-11296282-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-04-05 US disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 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-11296282-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, EML4, SLCO2A1 RAB9A 2693/4885NPC1 812/4885HPGD 3474/4885
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, EML4, SLCO2A1 RAB9A 2693/4885NPC1 812/4885HPGD 3474/4885

“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.