SCHEMBL2226670

SCHEMBL2226670

O=C1OC(c2ccccn2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
APAF1 O14727 1/20 0.41
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL11110890 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11112147 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL11498026 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL11498703 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL11498027 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL17737240 0.74 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL11498207 0.73 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL10688855 0.72 PARP16 (0.39) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL11310413 0.72 NPC1 (0.56) ALDH1A1KMT2AMAPTNPC1LMNA
SCHEMBL28207510 0.72 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1045684-A None JP disclosed
JP-55047678-A None JP disclosed
JP-55059183-A None JP disclosed
CN-101696221-B Substituted isoxazoles as fungicides SYNGENTA LTD 2013-05-29 CN disclosed
CN-102731490-A Substituted isoxazoles as fungicides SYNGENTA LTD 2012-10-17 CN disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
CN-101696221-A Substituted isoxazoles as fungicides SYNGENTA LTD 2010-04-21 CN disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
US-5260403-A Color-developing composition, aqueous suspension of the composition, and color-developing sheet produced using the suspension and suitable for use in pressure-sensitive copying paper MITSUI TOATSU CHEMICALS, INC. (JP) 1993-11-09 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
EP-0521474-A1 Colour-developing composition for pressure-sensitive copying paper MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-07 EP disclosed
EP-0283924-B1 AQUEOUS SUSPENSION AND PREPARATION METHOD THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-29 EP disclosed
US-4997874-A Dispersion of metal-modified salicylic acid resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-03-05 US disclosed
JP-S6445684-A DESENSITIZING INK MITSUI TOATSU CHEMICALS 1989-02-20 JP disclosed
EP-0283924-A2 Aqueous suspension and preparation method thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-09-28 EP disclosed
JP-S5559183-A NOVEL 2-PYRIDYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-05-02 JP disclosed
JP-S5547678-A NOVEL 2-PYRIDYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-04-04 JP 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-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES CYP4X1, CYP51A1, CYP3A7 ALDH1A1 211/4885KMT2A 1773/4885MAPT 3024/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 ALDH1A1 191/4885KMT2A 1843/4885MAPT 2993/4885

“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.