Sugi Predict

Sugi Predict / Compounds / SCHEMBL527700

SCHEMBL527700

SCHEMBL527700

Cc1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.67
▸ TSHR P16473 5/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ CYP3A4 P08684 4/20 0.62
▸ LMNA P02545 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ACHE P22303 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ MAPT P10636 4/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ PDE4A P27815 1/20 0.46

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
SCHEMBL2314016 0.83 TSHR (0.67) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL30492204 0.83 TSHR (0.67) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL3030993 0.80 LMNA (0.56) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL10638495 0.78 PTPRC (0.57) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL30683694 0.78 ALDH1A1 (0.72) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL85646 0.77 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4LMNA
Methylamine SCHEMBL11819150 0.77 ALDH1A1 (0.91) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL2948384 0.77 TSHR (0.69) ALDH1A1TSHRTDP1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530241-B Preparation method of benzo ring derivative with benzyl quaternary carbon center 武汉大学 2021-02-02 — — CN claimed
CN-119143739-A Stilbene compound, pharmaceutical composition and application thereof 北京理工大学 2024-12-17 — — CN disclosed
CN-118440092-A Thienopyrimidine compound and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-08-06 — — CN disclosed
CN-113087691-B Method for synthesizing chiral aryl tertiary alcohol and benzopyran compound based on kinetic resolution strategy 武汉大学 2023-08-29 — — CN disclosed
CN-113185404-B 1, 2-biaxial chiral biaryl compound and preparation method and application thereof 武汉大学 2022-08-05 — — CN disclosed
CN-110054541-B Preparation method of deuterated aromatic compound 安徽秀朗新材料科技有限公司 2022-05-27 — — CN disclosed
CN-113185404-A 1, 2-biaxial chiral biaryl compound and preparation method and application thereof 武汉大学 2021-07-30 — — CN disclosed
CN-113087691-A Method for synthesizing chiral aryl tertiary alcohol and benzopyran compound based on kinetic resolution strategy 武汉大学 2021-07-09 — — CN disclosed
CN-107987034-B Preparation method of dibenzo [ c, e ] [1,2] thiazine-5-oxo series compound with tricyclic system structure 江西师范大学 2021-04-20 — — CN disclosed
US-10941115-B2 Kinase inhibitors OXULAR ACQUISITIONS LIMITED (GB) 2021-03-09 — — US disclosed
CN-101014568-A Small molecule inhibition of a pdz-domain interaction UNIV CALIFORNIA (US) 2007-08-08 — — CN disclosed
EP-1781609-A1 SMALL MOLECULE INHIBITION OF A PDZ-DOMAIN INTERACTION The Regents of the University of California (US) 2007-05-09 — — EP disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 — — WO disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 — — US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 — — US disclosed
WO-2006007542-A1 SMALL MOLECULE INHIBITION OF A PDZ-DOMAIN INTERACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-19 — — WO disclosed
US-5384423-A Intermediates for antiinflammatory agents ROUSSEL-UCLAF (FR) 1995-01-24 — — US disclosed
US-5240960-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1993-08-31 — — 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-10941115-B2 Kinase inhibitors SYK, LYN, BTK ALDH1A1 4377/4885TSHR 1763/4885TDP1 1390/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 ALDH1A1 4359/4885TSHR 4711/4885TDP1 1569/4885

“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.