Sugi Predict

Sugi Predict / Compounds / SCHEMBL5565950

SCHEMBL5565950

SCHEMBL5565950

COc1c(Br)cc([N+](=O)[O-])cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ TSHR P16473 1/20 0.45
▸ ESPL1 Q14674 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43

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
SCHEMBL17132381 0.89 HTT (0.50) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL1612862 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL897060 0.87 HTT (0.52) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL482824 0.86 HTT (0.51) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL1530705 0.84 HTT (0.53) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL1530203 0.84 ERN1 (0.55) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL20191026 0.81 GRIN2D (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21772127 0.79 SMN1; SMN2 (0.46) ALDH1A1HTTLMNAMAPTCYP19A1
SCHEMBL10325884 0.79 HTT (0.51) ALDH1A1CYP3A4TSHRESPL1GLA
SCHEMBL21998614 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRESPL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613745-A Preparation method and application of series of zirconium-based MOFs and electrochromic film thereof 南开大学 2025-03-14 — — CN claimed
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 — — US disclosed
CN-119613745-A Preparation method and application of series of zirconium-based MOFs and electrochromic film thereof 南开大学 2025-03-14 — — CN disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 — — US disclosed
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2022-09-29 — — US disclosed
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 — — EP disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 — — CN disclosed
CN-112608250-A Biphenyl derivative compound, preparation method and application 武城县人民医院 2021-04-06 — — CN disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
CN-108685921-B Application of quinoline derivative of N-isostere tectoridin in anti-liver cancer drugs 广州大学 2020-01-17 — — CN disclosed
EP-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 — — EP disclosed
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2005-04-28 — — US disclosed
US-6867207-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-15 — — US disclosed
US-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2004-08-26 — — US disclosed
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives LACRAMPE JEAN FERNAND ARMAND (FR) 2002-06-13 — — US disclosed
EP-1000040-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 — — EP disclosed
WO-1999002505-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 — — WO 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 ALDH1A1 238/4885CYP3A4 3671/4885GRIN2D 2069/4885
US-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs IL6ST, CXCR5, ALOX5 ALDH1A1 1219/4885CYP3A4 767/4885GRIN2D 902/4885
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs CXCR5, HCAR3, IL6ST ALDH1A1 1331/4885CYP3A4 831/4885GRIN2D 1290/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 ALDH1A1 238/4885CYP3A4 3671/4885GRIN2D 2069/4885
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives IL6ST, ALOX5, IL5 ALDH1A1 848/4885CYP3A4 586/4885GRIN2D 1457/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 ALDH1A1 238/4885CYP3A4 3671/4885GRIN2D 2069/4885

“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.