SCHEMBL17035969

SCHEMBL17035969

[2H]c1cnc2ccc(C(OCO)c3ccccc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MET P08581 3/20 0.35
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
NR3C1 P04150 1/20 0.33
ADRA1A P35348 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
HTT P42858 2/20 0.31
SCN1A P35498 2/20 0.31
SCN2A Q99250 2/20 0.31
SCN3A Q9NY46 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL17035974 0.83 LMNA (0.37) LMNASMN1; SMN2ALDH1A1METPDE4D
SCHEMBL17035965 0.79 LMNA (0.41) LMNASMN1; SMN2ALDH1A1METPDE4D
SCHEMBL17035971 0.78 MET (0.43) LMNASMN1; SMN2ALDH1A1METNR3C1
SCHEMBL17953926 0.75 PDE4D (0.48) LMNASMN1; SMN2ALDH1A1METPDE4D
SCHEMBL17035966 0.74 HRH1 (0.49) LMNASMN1; SMN2ALDH1A1METPDE4D
SCHEMBL17035964 0.72 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1METPDE4D
SCHEMBL10982436 0.72 SCN1A (0.50) LMNASMN1; SMN2ADRA1AHTR1AADRA1D
SCHEMBL17035968 0.69 PDE4A (0.38) LMNASMN1; SMN2ALDH1A1METPDE4D
SCHEMBL17035959 0.69 MET (0.41) MET
SCHEMBL17586166 0.68 IP6K1 (0.39) SMN1; SMN2ADRA1AHTR1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20160213677-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-07-28 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 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-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 LMNA 671/4885SMN1; SMN2 2305/4885ALDH1A1 1761/4885
US-20160213677-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 LMNA 671/4885SMN1; SMN2 2305/4885ALDH1A1 1761/4885

“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.