SCHEMBL564222

SCHEMBL564222

CC1(C)c2ccccc2C(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14392382 0.83 CYP2A6 (0.34) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL14392561 0.81 ALDH1A1 (0.41) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL679133 0.77 KMT2A (0.38) NOTUMALDH1A1GAAPDK2PDK4
SCHEMBL14392374 0.76 RARB (0.43) ALDH1A1TSHRGAAPDK2MEN1
SCHEMBL16264924 0.75 MAPT (0.40) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL14392799 0.74 PDK2 (0.33) NOTUMALDH1A1GAAPDK2PDK4
SCHEMBL676795 0.74 PDK2 (0.38) NOTUMPDK2PDK4KDM4EMAPT
SCHEMBL14392370 0.74 GAA (0.35) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL14369407 0.72 NOTUM (0.47) NOTUMGAAMEN1KMT2AMAPK1
SCHEMBL18620881 0.72 LMNA (0.38) ALDH1A1GAAPDK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458522-B1 PROCESS FOR THE PREPARATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS HAVING A HIGH DEGREE OF PURITY ICROM SPA (IT) 2024-01-03 EP claimed
US-20230372410-A1 Compositions and Methods for the Treatment of Hepatic Diseases and Disorders LABYRINTH HOLDINGS LLC 2023-11-23 US claimed
US-10723710-B2 Process for the preparation of diaminophenothiazinium compounds having a high degree of purity ICROM S.P.A. (IT) 2020-07-28 US claimed
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-07-11 US claimed
US-20190185440-A1 PROCESS FOR THE PREPARATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS HAVING A HIGH DEGREE OF PURITY ICROM S.P.A. (IT) 2019-06-20 US claimed
US-9856364-B2 Stabilized reversible polymer composition XEROX CORPORATION (US) 2018-01-02 US claimed
US-20140353549-A1 STABILIZED REVERSIBLE POLYMER COMPOSITION XEROX CORPORATION (US) 2014-12-04 US claimed
EP-2328875-B1 TARGETED NITROXIDE AGENTS UNIV PITTSBURGH (US) 2014-10-15 EP claimed
US-8822541-B2 Use of targeted nitroxide agents in mitigating or treating radiation injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-09-02 US claimed
US-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-08-16 US claimed
WO-2010009389-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-01-21 WO claimed
EP-0845448-B1 Inhibiting polymerization of vinyl aromatic monomers ONDEO NALCO ENERGY SERV LP (US) 2002-01-30 EP claimed
US-6117276-A INCORPORATING TO THE VINYL AROMATIC MONOMER AN EFFECTIVE AMOUNT OF ACTIVATED NITROXYL-VINYL AROMATIC MONOMER MIXTURE WHICH IS CAPABLE OF INHIBITING PREMATURE POLYMERIZATION OF MONOMERS DURING DISTILLATION AND PURIFICATION NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 2000-09-12 US claimed
US-5952826-A A DIMETHYL ETHERS SOLVENT WITH A DISSOLVED NITROXIDE RADICAL FOR IMPROVING THE STABILITY AND RESISTANCE TO MAGNETIC FIELD GRADIENTS OVER A WIDE TEMPERATURE RANGE, DYNAMIC POLARIZATION COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1999-09-14 US claimed
EP-0845448-A1 Inhibiting polymerization of vinyl aromatic monomers Ciba SC Holding AG (CH) 1998-06-03 EP claimed
US-5681753-A Solution containing a nitroxide radical for magnetometry by nuclear magnetic resonance COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1997-10-28 US claimed
EP-0780697-A1 Solution for radicals for an NMR magnetometer COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1997-06-25 EP claimed
EP-0717054-A2 Stable free radical polymerization process and thermoplastic materials produced therefrom XEROX CORPORATION (US) 1996-06-19 EP claimed
EP-0716063-A1 Solution containing a nitroxide radical for magnetometry by nuclear magnetic resonance COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-06-12 EP claimed
US-5449724-A Stable free radical polymerization process and thermoplastic materials produced therefrom XEROX CORPORATION (US) 1995-09-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS HSPE1, HSPA9, HSPD1 NOTUM 3562/4885ALDH1A1 1888/4885TSHR 2990/4885
US-10723710-B2 Process for the preparation of diaminophenothiazinium compounds having a high degree of purity DDT, QDPR, DDC NOTUM 2435/4885ALDH1A1 1676/4885TSHR 3189/4885
US-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS NOX1, OGG1, NOX5 NOTUM 917/4885ALDH1A1 1100/4885TSHR 4805/4885
US-20190185440-A1 PROCESS FOR THE PREPARATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS HAVING A HIGH DEGREE OF PURITY DDT, QDPR, DDC NOTUM 2435/4885ALDH1A1 1676/4885TSHR 3189/4885

“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.