SCHEMBL3874852

SCHEMBL3874852

[CH2]C=CNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.44
IDO1 P14902 2/20 0.43
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 2/20 0.41
CTSD P07339 1/20 0.41
TSHR P16473 2/20 0.39
PTGS2 P35354 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL3874849 1.00 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL223591 0.83 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL223592 0.83 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
Benzene SCHEMBL10426584 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL18779752 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5569513 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6259235 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5541980 0.75 CYP2D6 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL27647042 0.75 KMT2A (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5541983 0.75 CYP2D6 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1

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-20040099975-A1 Method of preparing a surface modifier for nanoparticles, surface-modified inorganic oxide nanoparticles, and applications thereof FAR EASTERN TEXTILE LTD. 2004-05-27 US claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101657414-A Oxime compound, photosensitive composition, color filter, method for production of the color filter, and liquid crystal display element FUJIFILM CORP JP 2010-02-24 CN disclosed
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1508198-A Preparation method of nano-scale particle surface modifier, nano inorganic oxide dispersion and application thereof 远东纺织股份有限公司 2004-06-30 CN disclosed
US-20040099975-A1 Method of preparing a surface modifier for nanoparticles, surface-modified inorganic oxide nanoparticles, and applications thereof FAR EASTERN TEXTILE LTD. 2004-05-27 US disclosed
US-20030129504-A1 Photosensitive resin compositon, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. 2003-07-10 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885NPC1 2404/4885RAB9A 2824/4885
US-20040099975-A1 Method of preparing a surface modifier for nanoparticles, surface-modified inorganic oxide nanoparticles, and applications thereof ADH1A, PCNA, SUMO1 ALDH1A1 112/4885NPC1 2901/4885RAB9A 2382/4885

“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.