SCHEMBL2541504

SCHEMBL2541504

N#CCCCCCCCC[O]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.37
HIF1A Q16665 3/20 0.34
EPAS1 Q99814 3/20 0.34
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
NLRP3 Q96P20 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL11503357 1.00 TSHR (0.43) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL2299758 1.00
SCHEMBL2537877 1.00 TSHR (0.43) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL15767254 1.00 TSHR (0.43) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL2296137 1.00
SCHEMBL15767038 1.00 TSHR (0.43) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL366051 0.97
SCHEMBL246676 0.87
SCHEMBL1003333 0.83 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL645518 0.83 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11320739-B2 Composition for resist underlayer film formation, resist underlayer film and method for producing patterned substrate JSR CORPORATION (JP) 2022-05-03 US claimed
US-11320739-B2 Composition for resist underlayer film formation, resist underlayer film and method for producing patterned substrate JSR CORPORATION (JP) 2022-05-03 US disclosed
US-20180348633-A1 COMPOSITION FOR RESIST UNDERLAYER FILM FORMATION, RESIST UNDERLAYER FILM AND METHOD FOR PRODUCING PATTERNED SUBSTRATE JSR CORPORATION (JP) 2018-12-06 US disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
EP-2740728-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-06-11 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (3 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 TSHR 226/4885ALDH1A1 3756/4885TDP1 4743/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 TSHR 223/4885ALDH1A1 2837/4885TDP1 4726/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 TSHR 3016/4885ALDH1A1 171/4885TDP1 582/4885

“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.