SCHEMBL5775088

SCHEMBL5775088

CON(C)C(=O)c1ccc(C)c(I)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.45
MTOR P42345 4/20 0.43
HPGD P15428 3/20 0.37
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30430032 0.87 MLYCD (0.45) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL13002606 0.87 MLYCD (0.45) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL4843412 0.84 MLYCD (0.49) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL2787613 0.83 ESR1 (0.47) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL3818058 0.82 MTOR (0.47) MTORHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL6988786 0.82 MLYCD (0.44) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL5775166 0.82 MLYCD (0.48) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL2236490 0.80 MAPT (0.58) MLYCDHPGDCLK1DYRK1ADYRK1B
SCHEMBL8988251 0.80 MLYCD (0.45) MLYCDHPGDALDH1A1MEN1KMT2A
SCHEMBL30480721 0.80 MAPT (0.58) MLYCDHPGDCLK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation ACELOT,INC (US) 2021-02-25 US disclosed
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation ACELOT, INC. (US) 2020-07-07 US disclosed
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 US disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (4 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 MLYCD 3623/4885MTOR 2906/4885HPGD 3424/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 MLYCD 3742/4885MTOR 1798/4885HPGD 3593/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT MLYCD 3764/4885MTOR 1866/4885HPGD 424/4885
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation HTT, TARDBP, SNCA MLYCD 3288/4885MTOR 321/4885HPGD 4290/4885

“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.