SCHEMBL4958698

SCHEMBL4958698

O=[N+]([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.60
ERN1 O75460 1/20 0.47
TSHR P16473 3/20 0.47
S100A4 P26447 1/20 0.47
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
CTSB P07858 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL16974400 1.00 GPR35 (0.60) GPR35ERN1TSHRS100A4TP53
SCHEMBL29533001 0.86 GPR35 (0.59) GPR35ERN1TSHRS100A4TP53
SCHEMBL70085 0.86 GPR35 (0.59) GPR35TSHRS100A4TP53HPGD
SCHEMBL68675 0.86 GPR35 (0.59) GPR35ERN1TSHRS100A4TP53
SCHEMBL3083253 0.85 GPR35 (0.71) GPR35ERN1TSHRTP53HPGD
SCHEMBL12491863 0.85 GPR35 (0.57) GPR35ERN1TSHRS100A4TP53
SCHEMBL12491862 0.85 GPR35 (0.57) GPR35ERN1TSHRS100A4TP53
SCHEMBL27469332 0.85 GPR35 (0.57) GPR35ERN1TSHRS100A4TP53
SCHEMBL472796 0.83 TSHR (0.55) GPR35TSHRS100A4SMN1; SMN2CYP3A4
SCHEMBL3683680 0.83 TSHR (0.55) GPR35TSHRSMN1; SMN2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
CN-102070462-A Ethylenediamine-nitrophenol type ionic liquids and preparation method thereof INST PROCESS ENG CAS 2011-05-25 CN claimed
CN-110612119-B Phosphatidylether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2024-10-29 CN disclosed
US-20240226160-A9 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-07-11 US disclosed
US-20240131072-A1 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-04-25 US disclosed
EP-4291571-A2 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN Seattle Children's Hospital d/b/a Seattle Children's Research Institute (US) 2023-12-20 EP disclosed
CN-117177989-A Activity-inducible fusion proteins with heat shock protein 90 binding domain 西雅图儿童医院以西雅图儿童研究机构名义经营 2023-12-05 CN disclosed
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS SEATTLE CHILDREN’S HOSPITAL DBA SEATTLE CHILDREN’S RES INSTITUTE (US) 2023-10-12 US disclosed
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 US disclosed
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents SEATTLE CHILDREN'S HOSPITAL (US) 2023-05-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
EP-1700896-A1 HOT MELT ADHESIVE COMPOSITION JSR Corporation (JP) 2006-09-13 EP disclosed
EP-0059317-A1 Process for the preparation of electrically conductive polymers, and use thereof BASF Aktiengesellschaft (DE) 1982-09-08 EP 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR GPR35 286/4885ERN1 4387/4885TSHR 585/4885
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 GPR35 317/4885ERN1 2928/4885TSHR 1224/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 GPR35 1494/4885ERN1 3985/4885TSHR 4303/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 GPR35 317/4885ERN1 2928/4885TSHR 1224/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH GPR35 2712/4885ERN1 2490/4885TSHR 4390/4885

“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.