SCHEMBL22127145

SCHEMBL22127145

O=[N+]([O-])c1ccc(Cl)cc1-c1cc2ccccc2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ CASP6 P55212 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ PDE7A Q13946 4/20 0.43
▸ PDE7B Q9NP56 2/20 0.43
▸ CTSB P07858 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KIF18A Q8NI77 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL22155094 0.88 MAPT (0.50) HPRT1TSHRMAPK1TDP1CASP6
SCHEMBL22155087 0.86 HPRT1 (0.50) HPRT1TSHRMAPK1TDP1CASP6
SCHEMBL24030376 0.85 ALDH1A1 (0.53) HPRT1TSHRMAPK1TDP1CASP6
SCHEMBL4138766 0.82 HPRT1 (0.57) HPRT1TSHRMAPK1TDP1CASP6
SCHEMBL25561346 0.82 MAPK1 (0.56) TSHRMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL12004266 0.82 HPRT1 (0.50) HPRT1TSHRTDP1CASP6L3MBTL1
SCHEMBL12676216 0.82 TSHR (0.50) HPRT1TSHRTDP1CASP6L3MBTL1
SCHEMBL11516745 0.82 MAPK1 (0.69) TSHRMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL19997903 0.78 MAPK1 (0.45) HPRT1TSHRMAPK1TDP1L3MBTL1
SCHEMBL27735807 0.78 MAPK1 (0.59) TSHRMAPK1TDP1L3MBTL1ALDH1A1

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 6 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-11296282-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-04-05 — — US disclosed
CN-111320607-B Organic compound with triphenylene-containing polycyclic heteroaromatic group as core and application thereof 机光科技股份有限公司 2021-11-19 — — CN disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 — — US disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 — — US disclosed
CN-111320607-A Organic compound with triphenylene-containing polycyclic heteroaromatic group as core and application thereof 机光科技股份有限公司 2020-06-23 — — CN 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 HPRT1 447/4885TSHR 4244/4885MAPK1 2749/4885
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, EML4, SLCO2A1 HPRT1 447/4885TSHR 4244/4885MAPK1 2749/4885

“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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