Sugi Predict

Sugi Predict / Compounds / SCHEMBL4047397

SCHEMBL4047397

SCHEMBL4047397

COc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ GPR35 Q9HC97 2/20 0.41
▸ TPMT P51580 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GLA P06280 1/20 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
SCHEMBL689862 0.88 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL1599772 0.83 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL13376134 0.82 ALDH1A1 (0.60) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL16829017 0.81 TPMT (0.59) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL1599088 0.81 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL689445 0.81 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL17653060 0.81 ALDH1A1 (0.48) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL16106274 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRGPR35TPMT
SCHEMBL5038570 0.80 MAPT (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL1054399 0.78 CA2 (0.48) ALDH1A1TDP1TSHRTPMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717162-A Urea derivatives as kinase inhibitors 奥苏拉收购有限公司 2021-11-30 — — CN disclosed
EP-2981535-B1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS TOPIVERT PHARMA LTD (GB) 2020-12-16 — — EP disclosed
US-10435361-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-08 — — US disclosed
US-20180044288-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-02-15 — — US disclosed
US-9890185-B2 Urea derivatives useful as kinase inhibitors RESPIVERT LIMITED (GB) 2018-02-13 — — US disclosed
US-9790174-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 — — US disclosed
US-20160376232-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-12-29 — — US disclosed
US-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-03 — — US disclosed
US-9481648-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2016-11-01 — — US disclosed
EP-3083604-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS Respivert Limited (GB) 2016-10-26 — — EP disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 — — EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 — — EP disclosed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 — — WO disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 — — 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 (6 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-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS SYK, UACA, YES1 ALDH1A1 2713/4885TDP1 1497/4885TSHR 1885/4885
US-20180044288-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 4408/4885TDP1 1507/4885TSHR 1512/4885
US-20160376232-A1 KINASE INHIBITORS LYN, SYK, LCK ALDH1A1 3120/4885TDP1 655/4885TSHR 3901/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A ALDH1A1 297/4885TDP1 4566/4885TSHR 3979/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A ALDH1A1 297/4885TDP1 4566/4885TSHR 3979/4885
US-10435361-B2 Kinase inhibitors SYK, LYN, BTK ALDH1A1 4408/4885TDP1 1507/4885TSHR 1512/4885

“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.