SCHEMBL5067946

SCHEMBL5067946

O=[C]OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
GPR35 Q9HC97 2/20 0.44
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 7/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
S100A4 P26447 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PLAU P00749 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
SCHEMBL96620 0.80 ALDH1A1 (0.42) TDP1GPR35RECQLALDH1A1TSHR
SCHEMBL9260 0.80 ALDH1A1 (0.55) TDP1NPC1RECQLRAB9AALDH1A1
SCHEMBL10860882 0.80 TSHR (0.46) TDP1GPR35NPC1RECQLRAB9A
SCHEMBL15049924 0.79 ALDH1A1 (0.47) TDP1NPC1RAB9AALDH1A1TSHR
SCHEMBL28910230 0.77 TDP1 (0.48) TDP1GPR35NPC1RECQLRAB9A
SCHEMBL8912340 0.76 ALDH1A1 (0.39) TDP1GPR35NPC1RECQLRAB9A
SCHEMBL14627355 0.74 TDP1 (0.45) TDP1GPR35NPC1RECQLRAB9A
SCHEMBL5067951 0.74 TDP1 (0.45) TDP1GPR35NPC1RECQLRAB9A
SCHEMBL28893726 0.74 TDP1 (0.38) TDP1GPR35NPC1RECQLRAB9A
SCHEMBL5248139 0.73 TDP1 (0.58) TDP1GPR35NPC1RECQLRAB9A

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 12 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
WO-2008035890-A1 AT LOW TEMPERATURE, FAST HARDENING COMPOSITION FOR PREPARING PROTECTING FILM, PROTECTING FILM PREPARED THEREFROM, AND SUBSTRATE COMPRISING THE SAME LG CHEM, LTD. (KR) 2008-03-27 WO 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 3972/4885GPR35 180/4885NPC1 4603/4885
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates TYR, PCNA, DNMT1 TDP1 110/4885GPR35 4536/4885NPC1 2643/4885
US-20010049108-A1 Methods for reducing non-specific binding to an oligonucleotide array DCLRE1B, CD2BP2, NT5C3B TDP1 710/4885GPR35 4638/4885NPC1 3484/4885

“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.