Sugi Predict

Sugi Predict / Compounds / SCHEMBL15617271

SCHEMBL15617271

SCHEMBL15617271

O=[N+]([O-])c1c(Br)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.62
▸ CYP3A4 P08684 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.50
▸ NCEH1 Q6PIU2 1/20 0.48
▸ HPRT1 P00492 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ S100A4 P26447 1/20 0.44
▸ HNF4A P41235 2/20 0.44
▸ CTSB P07858 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ TYMS P04818 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL28905249 0.98 TSHR (0.61) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL18302088 0.84 TSHR (0.54) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL12098391 0.79 S100A4 (0.43) TSHRCYP3A4ALDH1A1S100A4CTSB
SCHEMBL187452 0.78 TSHR (0.65) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL767775 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL3699674 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL10871323 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL5249317 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL7936527 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL3071816 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12108662-B2 Compound for organic electronic element, organic electronic element using same and electronic device therefor DUK SAN NEOLUX CO., LTD. (KR) 2024-10-01 — — US disclosed
US-12041851-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2024-07-16 — — US disclosed
US-12041851-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2024-07-16 — — US disclosed
CN-113056463-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-04-23 — — CN disclosed
CN-117384166-A Nitrogen-containing compound, organic electroluminescent device and electronic device comprising same 陕西莱特迈思光电材料有限公司 2024-01-12 — — CN disclosed
CN-114685454-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-01-12 — — CN disclosed
CN-113015733-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-11-14 — — CN disclosed
CN-114105992-B Nitrogen-containing compound, organic electroluminescent device and electronic device comprising same 陕西莱特迈思光电材料有限公司 2023-11-14 — — CN disclosed
CN-112204030-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-01 — — CN disclosed
CN-116621842-A Compound and organic light emitting device comprising the same 株式会社LG化学 2023-08-22 — — CN disclosed
WO-2016126035-A1 ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-08-11 — — WO disclosed
WO-2016072690-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 — — WO disclosed
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2015-07-30 — — US disclosed
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2015-07-30 — — US disclosed
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2015-07-30 — — US disclosed
CN-104736537-A Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORP 2015-06-24 — — CN disclosed
US-20140374724-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2014-12-25 — — US disclosed
WO-2014058183-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS OF SAID ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2014-04-17 — — WO disclosed
WO-2014025114-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2014-02-13 — — WO disclosed
CN-103153986-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-06-12 — — 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 (3 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-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDO1, IDO2, KYNU TSHR 3529/4885CYP3A4 257/4885ALDH1A1 687/4885
US-12108662-B2 Compound for organic electronic element, organic electronic element using same and electronic device therefor OR51E2, WEE2, WEE1 TSHR 4619/4885CYP3A4 188/4885ALDH1A1 725/4885
US-12041851-B2 Compound and organic light emitting device comprising same CRY1, CYP1A1, TRPA1 TSHR 4715/4885CYP3A4 16/4885ALDH1A1 25/4885

“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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