SCHEMBL5052181

SCHEMBL5052181

CC(OC(=O)Cl)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
CASR P41180 1/20 0.39
POLB P06746 2/20 0.39
PDK1 Q15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL29573208 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL27889264 0.86 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL5583400 0.86 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL5583434 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL13347474 0.84 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL4361293 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL12920011 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL5583367 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL5583285 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL23072537 0.82 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713634-B2 Non-linear silicon compound, method of manufacturing oligomer probe array using the same, substrate for oligomer probe array with the same, and oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-05-11 US disclosed
US-7713634-B2 Non-linear silicon compound, method of manufacturing oligomer probe array using the same, substrate for oligomer probe array with the same, and oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-05-11 US disclosed
US-20080107660-A1 Binding Agents SELF COLIN 2008-05-08 US disclosed
US-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-06 US disclosed
US-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-06 US disclosed
EP-1723418-A2 BINDING AGENTS Bioenhancementsments Ltd. (GB) 2006-11-22 EP disclosed
EP-0871673-B1 BISPECIFIC ANTIBODIES IN WHICH THE BINDING CAPABILITY IS REVERSIBLY INHIBITED BY A PHOTOCLEAVABLE MOIETY BIOENHANCEMENTS LTD (GB) 2006-04-05 EP disclosed
WO-2005083431-A2 BINDING AGENTS BLOENHANCEMENTS LIMITED (GB) 2005-09-09 WO disclosed
US-20040197336-A1 Bispecific antibodies in which the binding capability is reversibly inhibited by a photocleavable moiety SELF COLIN HENRY (GB) 2004-10-07 US disclosed
EP-0871673-A1 BISPECIFIC ANTIBODIES IN WHICH THE BINDING CAPABILITY IS REVERSIBLY INHIBITED BY A PHOTOCLEAVABLE MOIETY Bioenhancementsments Ltd. (GB) 1998-10-21 EP disclosed
WO-1996034892-A1 BISPECIFIC ANTIBODIES IN WHICH THE BINDING CAPABILITY IS REVERSIBLY INHIBITED BY A PHOTOCLEAVABLE MOIETY BIOENHANCEMENTS LTD. (GB) 1996-11-07 WO disclosed
US-5434272-A Photo-labile compounds, their synthesis and use as fluorophores MEDICAL RESEARCH COUNCIL (GB) 1995-07-18 US disclosed
WO-1992008720-A1 PHOTO-LABILE COMPOUNDS, THEIR SYNTHESIS AND USE AS FLUOROPHORES MEDICAL RESEARCH COUNCIL (GB) 1992-05-29 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 (1 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-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same NONO, SPTBN1, SKIC8 ALDH1A1 4399/4885CYP1A2 4678/4885TSHR 3504/4885

“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.