SCHEMBL17279686

SCHEMBL17279686

O=C(Oc1cccc(OC(=O)c2nc(-c3ccccc3)n[nH]2)c1)c1nc(-c2ccccc2)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
F2 P00734 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ESR1 P03372 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
NSD2 O96028 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
SCHEMBL17279707 0.93 NR1H2 (0.46) NR1H2NR1H3LMNAKMT2AMAPT
SCHEMBL17279761 0.90 NR1H2 (0.46) NR1H2NR1H3LMNAKMT2AMAPT
SCHEMBL17279685 0.80 NR1H2 (0.58) NR1H2NR1H3LMNAALOX5KMT2A
SCHEMBL17283668 0.79 KMT2A (0.48) KMT2AMAPTMEN1F2CYP1A2
SCHEMBL22307345 0.74 LMNA (0.48) NR1H2NR1H3LMNAKMT2AMEN1
SCHEMBL17279710 0.74 MAPT (0.44) LMNAALOX5KMT2AMAPTTDP1
SCHEMBL17279765 0.74 NR1H2 (0.54) NR1H2NR1H3LMNAKMT2AMAPT
SCHEMBL11575048 0.73 NR1H2 (0.52) NR1H2NR1H3LMNAKMT2AMAPT
SCHEMBL13754827 0.73 LMNA (0.53) LMNAKMT2AMAPTMEN1CYP1A2
SCHEMBL17574084 0.73 MAPT (0.42) KMT2AMAPTTDP1MEN1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875525-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL KONICA MINOLTA, INC. (JP) 2021-09-08 EP disclosed
WO-2020158647-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL コニカミノルタ株式会社 2020-08-06 WO disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
WO-2017099041-A1 POLYIMIDE FILM, FLEXIBLE PRINTED BOARD, LED LIGHTING DEVICE ETC. コニカミノルタ株式会社 2017-06-15 WO disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 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 (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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS NR1H2 1059/4885NR1H3 766/4885LMNA 2915/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 NR1H2 1877/4885NR1H3 1458/4885LMNA 2773/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 NR1H2 534/4885NR1H3 787/4885LMNA 3412/4885

“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.