SCHEMBL648045

SCHEMBL648045

O=[N+]([O-])c1ccc(I)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.62
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
MAPK1 P28482 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SIRT6 Q8N6T7 1/20 0.46
THRB P10828 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
SCHEMBL4700495 0.83 GPR35 (0.62) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL6840900 0.80 TSHR (0.56) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL29479746 0.78 GPR35 (0.67) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL9198198 0.78 GPR35 (0.67) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL29490141 0.78 GPR35 (0.67) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL68980 0.78 GPR35 (0.67) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL29562216 0.78 TSHR (0.43) GPR35MAPTALDH1A1CYP3A4TDP1
SCHEMBL1298366 0.78 TSHR (0.43) GPR35MAPTALDH1A1CYP3A4TDP1
SCHEMBL9865001 0.77 GPR35 (0.64) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL1040777 0.77 GPR35 (1.00) GPR35MAPTHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed
CN-114524938-B Polymer, photosensitive resin composition, cured film prepared from polymer and photosensitive resin composition, and electronic element 江苏三月科技股份有限公司 2024-02-09 CN disclosed
CN-114524938-A Polymer, photosensitive resin composition, cured film prepared from same and electronic element 江苏三月科技股份有限公司 2022-05-24 CN disclosed
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
EP-1809332-B1 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS ONCOLOGIC INC (US) 2011-12-14 EP disclosed
US-20110142756-A1 Method And Composition For The Treatment Of Cancer By The Enzymatic Conversion Of Soluble Radioactive Toxic Precipitates In The Cancer Rose, David S. (US) 2011-06-16 US disclosed
US-20070297980-A1 Geldanamycin and Derivatives Inhibit Cancer Invasion and Identify Novel Targets MICHIGAN STATE UNIVERSITY 2007-12-27 US disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
EP-1809332-A2 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS Oncologic, Inc. (US) 2007-07-25 EP disclosed
CN-1997632-A Geldanamycin and derivatives inhibit cancer invasion and identify novel targets VAN ANDEL RES INST (US) 2007-07-11 CN disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 WO disclosed
EP-1737825-A1 GELDANAMYCIN AND DERIVATIVES INHIBIT CANCER INVASION AND IDENTIFY NOVEL TARGETS Van Andel Research Institute (US) 2007-01-03 EP disclosed
US-20060018908-A1 Compositions and methods for treating cancer ROSE, DAVID STUART 2006-01-26 US disclosed
WO-2006010165-A2 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS ONCOLOGIC, INC. (US) 2006-01-26 WO disclosed
WO-2005095347-A1 GELDANAMYCIN AND DERIVATIVES INHIBIT CANCER INVASION AND IDENTIFY NOVEL TARGETS VAN ANDEL RESEARCH INSTITUTE (US) 2005-10-13 WO disclosed
US-20050058652-A1 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer ROSE, DAVID STUART 2005-03-17 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 (1 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-20070297980-A1 Geldanamycin and Derivatives Inhibit Cancer Invasion and Identify Novel Targets MET, HSP90B1, HGFAC GPR35 3998/4885MAPT 3229/4885HPGD 838/4885

“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.