SCHEMBL6129356

SCHEMBL6129356

CC(O[C]=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.40
S100A4 P26447 2/20 0.38
PTPRC P08575 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3325090 0.83 ALDH1A1 (0.51) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL15049917 0.81 ALDH1A1 (0.45) TDP1TSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6129357 0.76 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL16225016 0.75 TDP1 (0.58) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL18138439 0.74 TDP1 (0.56) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL3913753 0.72 TSHR (0.51) TDP1TSHRGPR35ALDH1A1HSD17B10
SCHEMBL702623 0.72 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL8911863 0.72 TDP1 (0.54) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL14718636 0.71 MAPT (0.44) TDP1SMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL2027813 0.70 MAPT (0.45) TDP1TSHRALDH1A1HSD17B10L3MBTL1

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-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates CENTRILLION TECHNOLOGIES, INC. 2023-03-23 US claimed
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates CENTRILLION TECHNOLOGIES, INC. 2023-03-23 US disclosed
WO-2021117680-A1 BIOLOGICAL SUBSTANCE IMMOBILIZATION MATERIAL 国立大学法人 東京大学 2021-06-17 WO disclosed
EP-3802847-A1 INCREASING EFFICIENCY OF PHOTOCHEMICAL REACTIONS ON SUBSTRATES Centrillion Technologies, Inc. (US) 2021-04-14 EP disclosed
US-20200397901-A1 PHOTORESPONSIVE SMOOTHENED LIGAND THE UNIVERSITY OF TOKYO (JP) 2020-12-24 US disclosed
US-20130165350-A1 SURFACE LINKERS FOR ARRAY SYNTHESIS AFFYMETRIX, INC. (US) 2013-06-27 US disclosed
US-20130078389-A1 PATTERN FORMATION METHOD NIKON CORPORATION (JP) 2013-03-28 US disclosed
EP-1071821-A4 METHODS FOR REDUCING NON-SPECIFIC BINDING TO A NUCLEIC ACID PROBE ARRAY AFFYMETRIX INC (US) 2005-06-29 EP disclosed
US-20010049108-A1 Methods for reducing non-specific binding to an oligonucleotide array MCGALL GLENN (US) 2001-12-06 US disclosed
EP-1071821-A1 METHODS FOR REDUCING NON-SPECIFIC BINDING TO A NUCLEIC ACID PROBE ARRAY Affymetrix, Inc. (a California Corporation) (US) 2001-01-31 EP disclosed
WO-1999054509-A1 METHODS FOR REDUCING NON-SPECIFIC BINDING TO A NUCLEIC ACID PROBE ARRAY AFFYMETRIX, INC. (US) 1999-10-28 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 (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-20200397901-A1 PHOTORESPONSIVE SMOOTHENED LIGAND SMO, GLI1, SHH TDP1 3972/4885TSHR 495/4885SMN1; SMN2 2996/4885
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates TYR, PCNA, DNMT1 TDP1 110/4885TSHR 4716/4885SMN1; SMN2 2286/4885
US-20010049108-A1 Methods for reducing non-specific binding to an oligonucleotide array DCLRE1B, CD2BP2, NT5C3B TDP1 710/4885TSHR 2343/4885SMN1; SMN2 3456/4885

“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.