Sugi Predict

Sugi Predict / Compounds / SCHEMBL1438865

SCHEMBL1438865

SCHEMBL1438865

O=c1[nH]cnc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.77
▸ CYP3A4 P08684 1/20 0.61
▸ NAMPT P43490 1/20 0.61
▸ XDH P47989 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.57
▸ CHEK1 O14757 2/20 0.57
▸ PIM1 P11309 2/20 0.57
▸ RPS6KA3 P51812 1/20 0.57
▸ PDPK1 O15530 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ DAO P14920 1/20 0.49
▸ IP6K1 Q92551 1/20 0.48
▸ KDM4A O75164 1/20 0.46
▸ KDM4B O94953 1/20 0.46
▸ KDM5C P41229 1/20 0.46
▸ KDM4C Q9H3R0 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
SCHEMBL31000787 1.00 PARP1 (0.77) PARP1CYP3A4NAMPTXDHALDH1A1
SCHEMBL158065 0.87 PARP1 (1.00) PARP1CYP3A4NAMPTXDHCHEK1
SCHEMBL28412913 0.84 PARP1 (0.60) PARP1CYP3A4NAMPTXDHALDH1A1
SCHEMBL29923659 0.78 CYP3A4 (0.77) PARP1CYP3A4NAMPTXDHALDH1A1
SCHEMBL271340 0.78 CYP3A4 (0.77) PARP1CYP3A4NAMPTXDHALDH1A1
SCHEMBL27748904 0.77 PARP1 (0.62) PARP1CYP3A4NAMPTXDHALDH1A1
Silver SCHEMBL11230934 0.77 CYP3A4 (0.75) PARP1CYP3A4NAMPTXDHALDH1A1
SCHEMBL8425555 0.77 CYP3A4 (0.75) PARP1CYP3A4NAMPTXDHALDH1A1
SCHEMBL29873118 0.76 PARP1 (0.74) PARP1ALDH1A1CHEK1PIM1RPS6KA3
SCHEMBL1663179 0.76 PARP1 (0.74) PARP1ALDH1A1CHEK1PIM1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. 2024-11-14 — — US disclosed
EP-4373816-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) Dana-Farber Cancer Institute, Inc. (US) 2024-05-29 — — EP disclosed
CN-117946012-A Preparation method of nitrogen-containing heterocycle 温州理工学院 2024-04-30 — — CN disclosed
CN-114807987-B Electrochemical method for preparing fused polycyclic quinazolinone derivative 哈尔滨工业大学（深圳） 2023-10-03 — — CN disclosed
US-11739071-B2 Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2023-08-29 — — US disclosed
WO-2023003973-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-26 — — WO disclosed
CN-114807987-A Electrochemical method for preparing condensed polycyclic quinazolinone derivative 哈尔滨工业大学（深圳） 2022-07-29 — — CN disclosed
US-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 — — US disclosed
US-20210130321-A1 QUINAZOLINONES AND AZAQUINAZOLINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-05-06 — — US disclosed
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 — — EP disclosed
US-20020032208-A1 Chemical compounds ZENECA LIMITED 2002-03-14 — — US disclosed
EP-0873319-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-07-25 — — EP disclosed
US-6258951-B1 ANTICANCER, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 2001-07-10 — — US disclosed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 — — US disclosed
US-6071921-A Chemical compounds ZENECA LIMITED (GB) 2000-06-06 — — US disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 — — US disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 — — EP disclosed
EP-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 — — EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 — — WO disclosed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 — — 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 (5 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A PARP1 1902/4885CYP3A4 2671/4885NAMPT 1031/4885
US-11739071-B2 Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors USP7, UBQLN1, UBA7 PARP1 997/4885CYP3A4 616/4885NAMPT 4355/4885
US-20210130321-A1 QUINAZOLINONES AND AZAQUINAZOLINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBQLN1, UBA7 PARP1 997/4885CYP3A4 616/4885NAMPT 4355/4885
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) USP7, USP47, USP2 PARP1 1909/4885CYP3A4 4066/4885NAMPT 2856/4885
US-20020032208-A1 Chemical compounds FLT1, CNKSR1, KDR PARP1 2166/4885CYP3A4 464/4885NAMPT 1786/4885

“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.