SCHEMBL822131

SCHEMBL822131

COc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 1/20 0.67
ADORA3 P0DMS8 4/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
NLRP3 Q96P20 1/20 0.59
EGFR P00533 1/20 0.58
ERBB3 P21860 1/20 0.58
KCNK9 Q9NPC2 2/20 0.57
KCNK3 O14649 1/20 0.56
F2 P00734 1/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
GRM5 P41594 1/20 0.56
ADORA1 P30542 1/20 0.55
SCD O00767 1/20 0.54

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
SCHEMBL14637157 0.83 F2 (0.63) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL30362399 0.83 F2 (0.63) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL821848 0.81 MEN1 (0.68) NPC1RAB9ASMN1; SMN2ADORA3MEN1
SCHEMBL28187512 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL15308171 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL15305767 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL821769 0.79 KMT2A (0.64) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL821845 0.79 RAB9A (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2632145 0.79 ADORA3 (0.74) NPC1RAB9ASMN1; SMN2ADORA3MEN1
SCHEMBL28338622 0.79 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HTTADORA3

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656969-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2017-05-23 US disclosed
US-9656969-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2017-05-23 US disclosed
US-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2016-06-09 US disclosed
US-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2016-06-09 US disclosed
US-9296877-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2016-03-29 US disclosed
US-9296877-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2016-03-29 US disclosed
US-9151883-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-10-06 US disclosed
US-9151883-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-10-06 US disclosed
US-8937696-B2 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-01-20 US disclosed
US-8937696-B2 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-01-20 US disclosed
US-20120180697-A1 CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-07-19 US disclosed
US-20120177848-A1 CELLULOSE ACYLATE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-07-12 US disclosed
US-20120177848-A1 CELLULOSE ACYLATE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-07-12 US disclosed
US-8158220-B2 Cellulose acylate film, retardation film, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
US-8158220-B2 Cellulose acylate film, retardation film, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
US-20120018685-A1 Optical film, retardation film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-01-26 US disclosed
US-20120018685-A1 Optical film, retardation film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-01-26 US disclosed
US-20110255037-A1 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2011-10-20 US disclosed
US-20110076423-A1 CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed
US-20110076423-A1 CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-03-31 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 (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-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND PYM1, CNKSR1, MYB NPC1 4563/4885RAB9A 1000/4885SMN1; SMN2 3859/4885

“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.