Sugi Predict

Sugi Predict / Compounds / SCHEMBL205380

SCHEMBL205380

SCHEMBL205380

O=[N+]([O-])c1ccc(I)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.62
▸ ALDH1A1 P00352 4/20 0.57
▸ TSHR P16473 4/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ ERN1 O75460 1/20 0.52
▸ ALOX15 P16050 2/20 0.48
▸ KCNMA1 Q12791 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TTR P02766 1/20 0.47

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
SCHEMBL482237 0.83 TSHR (0.62) GPR35ALDH1A1TSHRHPGDMAPK1
4-Nitrocatechol SCHEMBL156909 0.80 TSHR (0.69) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL11028069 0.80 GPR35 (0.69) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL3030993 0.80 LMNA (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
4-Nitrocatechol SCHEMBL11765698 0.80 TSHR (0.69) GPR35ALDH1A1TSHRHPGDMAPK1
4-Nitrocatechol SCHEMBL1608536 0.80 TSHR (0.69) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL11796635 0.80 GPR35 (0.53) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL6017315 0.79 ALDH1A1 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL10638495 0.78 PTPRC (0.57) GPR35ALDH1A1TSHRHPGDMAPK1
4-Nitrocatechol SCHEMBL4071135 0.78 ALDH1A1 (0.67) GPR35ALDH1A1TSHRHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12263159-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2025-04-01 — — US disclosed
WO-2025039999-A1 FUSED HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-02-27 — — WO disclosed
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2024-08-29 — — US disclosed
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 — — US disclosed
US-20230115350-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-04-13 — — US disclosed
EP-3818053-B1 FUSED RING COMPOUND HAVING UREA STRUCTURE SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-03-29 — — EP disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 — — WO disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — US disclosed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 — — WO disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 — — US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 — — US disclosed
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 — — WO disclosed
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 — — EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 — — US disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 — — EP disclosed
CN-1261795-A Compounds and methods SMITHKLINE BEECHAM CORP (US) 2000-08-02 — — CN disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 — — EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 — — 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-12263159-B2 Fused ring compound having urea structure NAMPT, NME4, NDUFAB1 GPR35 1552/4885ALDH1A1 1608/4885TSHR 2322/4885
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT GPR35 1545/4885ALDH1A1 1751/4885TSHR 2060/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT GPR35 1545/4885ALDH1A1 1751/4885TSHR 2060/4885
US-20230115350-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 GPR35 4420/4885ALDH1A1 1319/4885TSHR 4267/4885
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, NDUFAB1 GPR35 1552/4885ALDH1A1 1608/4885TSHR 2322/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR GPR35 19/4885ALDH1A1 3842/4885TSHR 58/4885

“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.