SCHEMBL2210085

SCHEMBL2210085

COc1cc2nc(C(=O)Cl)c(=O)n(C)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
HDAC6 Q9UBN7 3/20 0.38
TNF P01375 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
S100B P04271 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL29600466 1.00 MAPT (0.51) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL10479158 0.87 MAPT (0.52) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL10479139 0.86 MAPT (0.54) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL10808625 0.74 ALDH1A1 (0.41) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL10808616 0.74 KDM4E (0.41) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL22401705 0.72 ALDH1A1 (0.40) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL571871 0.72 ALDH1A1 (0.40) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL29600727 0.72 ALDH1A1 (0.40) MAPTTP53RXFP1SMN1; SMN2ALDH1A1
SCHEMBL2268501 0.70 LMNA (0.55) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29751992 0.70 HDAC6 (0.44) MAPTTP53RXFP1ALDH1A1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12638394-B2 Skin sensitization measuring reagent, method for measuring skin sensitization, and compound FUJIFILM CORPORATION (JP) 2026-05-26 US disclosed
EP-4036570-B1 REAGENT FOR MEASURING SKIN SENSITIZATION, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM CORP (JP) 2025-03-05 EP disclosed
EP-4234537-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM Corporation (JP) 2023-08-30 EP disclosed
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM CORPORATION (JP) 2023-08-17 US disclosed
EP-4036570-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM Corporation (JP) 2022-08-03 EP disclosed
US-20220214276-A1 SKIN SENSITIZATION MEASURING REAGENT, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM CORPORATION (JP) 2022-07-07 US disclosed
US-11322339-B2 Sample plate for laser desorption/ionization mass spectrometry KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2022-05-03 US disclosed
US-11158493-B2 Organic silica thin film, method for producing the same, laser desorption/ionization mass spectrometric substrate using the same, and laser desorption/ionization mass spectrometric method KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2021-10-26 US disclosed
US-20210028000-A1 ORGANIC SILICA THIN FILM, METHOD FOR PRODUCING THE SAME, LASER DESORPTION/IONIZATION MASS SPECTROMETRIC SUBSTRATE USING THE SAME, AND LASER DESORPTION/IONIZATION MASS SPECTROMETRIC METHOD KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2021-01-28 US disclosed
US-20200273690-A1 SAMPLE PLATE FOR LASER DESORPTION/IONIZATION MASS SPECTROMETRY KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2020-08-27 US disclosed
WO-2019181970-A1 ORGANIC SILICA THIN FILM, METHOD FOR PRODUCING THE SAME, LASER DESORPTION/IONIZATION MASS SPECTROMETRIC SUBSTRATE USING THE SAME, AND LASER DESORPTION/IONIZATION MASS SPECTROMETRIC METHOD KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2019-09-26 WO disclosed
US-7981686-B2 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2011-07-19 US disclosed
US-20100184122-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESSING BODY ODOR KAO CORPORATION (JP) 2010-07-22 US disclosed
US-20060160240-A1 Indicator for assessing body odor, process for producing the same, body odor assessment method, method of assessing efficaciousness of deodorant and kit for conveniently assessing body odor KAO CORPORATION (JP) 2006-07-20 US disclosed
US-20050164400-A1 Method of examining and diagnosing integration dysfunction syndrome MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-07-28 US disclosed
EP-1553411-A1 INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR Kao Corporation (JP) 2005-07-13 EP disclosed
EP-1542017-A1 METHOD OF EXAMINING AND DIAGNOSING INTEGRATION DYSFUNCTION SYNDROME Mitsubishi Pharma Corporation (JP) 2005-06-15 EP disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed
US-4800223-A FLUORESCENT LABEL TOSOH CORPORATION (JP) 1989-01-24 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 (2 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-12638394-B2 Skin sensitization measuring reagent, method for measuring skin sensitization, and compound HRH1, HRH4, CUTA MAPT 3755/4885TP53 3805/4885RXFP1 901/4885
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION TST, CUTA, HNMT MAPT 3430/4885TP53 3554/4885RXFP1 2945/4885

“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.