SCHEMBL67263

SCHEMBL67263

O=COCOCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KCNH2 Q12809 7/20 0.48
KCNJ1 P48048 3/20 0.44
IDO1 P14902 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
AKR1C3 P42330 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL88305 0.87 TSHR (0.55) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL3656180 0.83 TSHR (0.62) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL5546769 0.81 TSHR (0.51) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL5535046 0.79 TSHR (0.50) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL4586246 0.78 TSHR (0.56) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL5535033 0.78 KCNH2 (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL5542243 0.78 KCNH2 (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL67262 0.78 TSHR (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL7049974 0.77 TSHR (0.55) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL8328188 0.77 TSHR (0.55) TSHRKCNH2KCNJ1IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides STEALTH BIOTHERAPEUTICS INC. (US) 2024-07-16 US disclosed
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2024-05-16 US disclosed
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF STEALTH BIOTHERAPEUTICS INC. (US) 2024-04-04 US disclosed
US-11548913-B2 Therapeutic compositions including peptides and uses thereof STEALTH BIOTHERAPEUTICS INC. (US) 2023-01-10 US disclosed
EP-3087093-B1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH BIOTHERAPEUTICS CORP (MC) 2021-11-10 EP disclosed
US-11141456-B2 Therapeutic compositions including frataxin, lactoferrin, and mitochondrial energy generating enzymes, and uses thereof STEALTH BIOTHERAPEUTICS CORP (MC) 2021-10-12 US disclosed
US-20210206803-A1 THERAPEUTIC COMPOSITIONS INCLUDING PEPTIDES AND USES THEREOF STEALTH BIOTHERAPEUTICS INC. 2021-07-08 US disclosed
EP-3800192-A1 PROCESSES FOR PREPARING PHARMACEUTICALLY RELEVANT PEPTIDES Stealth Biotherapeutics Corp (MC) 2021-04-07 EP disclosed
US-20200347064-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2020-11-05 US disclosed
EP-3265109-B1 PROCESSES FOR PREPARING PHARMACEUTICALLY RELEVANT PEPTIDES STEALTH BIOTHERAPEUTICS CORP (MC) 2020-10-21 EP disclosed
US-6482943-B1 Quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-11-19 US disclosed
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-29 US disclosed
EP-1185493-A1 QUINONES FOR TREATMENT OF DISEASES SLIL Biomedical Corporation (US) 2002-03-13 EP disclosed
WO-2002010142-A1 CYCLIC POLYAMINE COMPOUNDS FOR CANCER THERAPY SLIL BIOMEDICAL CORPORATION (US) 2002-02-07 WO disclosed
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. 2001-12-20 US disclosed
US-6281245-B1 ADMINISTERING DEFORMYLASE INHIBITOR VERSICOR, INC. 2001-08-28 US disclosed
WO-2001044178-A1 NOVEL UREA COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
WO-2000066528-A2 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 WO disclosed
WO-1999057097-A2 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1999-11-11 WO disclosed
WO-1998018754-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1998-05-07 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 (9 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-11141456-B2 Therapeutic compositions including frataxin, lactoferrin, and mitochondrial energy generating enzymes, and uses thereof ARG2, ABAT, FH TSHR 2468/4885KCNH2 4480/4885KCNJ1 4114/4885
US-20200347064-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN TSHR 2030/4885KCNH2 2948/4885KCNJ1 3724/4885
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides ADM2, VIP, PEPD TSHR 1572/4885KCNH2 3274/4885KCNJ1 3829/4885
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN TSHR 2081/4885KCNH2 3009/4885KCNJ1 3723/4885
US-11548913-B2 Therapeutic compositions including peptides and uses thereof VIP, IAPP, TNNI3 TSHR 2994/4885KCNH2 4202/4885KCNJ1 4349/4885
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation PDF, UROD, HDHD5 TSHR 3464/4885KCNH2 4651/4885KCNJ1 4294/4885
US-20210206803-A1 THERAPEUTIC COMPOSITIONS INCLUDING PEPTIDES AND USES THEREOF VIP, IAPP, TNNI3 TSHR 2994/4885KCNH2 4202/4885KCNJ1 4349/4885
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF S100A10, SPG11, TMSB10 TSHR 3820/4885KCNH2 4430/4885KCNJ1 4019/4885
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF HNMT, HAAO, HPSE TSHR 1868/4885KCNH2 3937/4885KCNJ1 4482/4885

“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.