SCHEMBL2323602

SCHEMBL2323602

O=Cc1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
ALDH1A1 P00352 1/20 0.54
CYP2A6 P11509 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADH1B P00325 1/20 0.54
ADH1C P00326 1/20 0.54
ADH1A P07327 1/20 0.54
ADH7 P40394 1/20 0.54
HDAC6 Q9UBN7 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
BCHE P06276 1/20 0.50
MAOA P21397 1/20 0.48
DPP7 Q9UHL4 1/20 0.47
CHRM2 P08172 1/20 0.47

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
Benzaldehyde SCHEMBL10666305 0.93 ALDH1A1 (0.64) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL22192863 0.84 HDAC1 (0.45) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL2222928 0.84 ALDH1A1 (0.62) ALDH1A1CYP2A6ADH1BADH1CADH1A
SCHEMBL10054993 0.83 MEN1 (0.74) HDAC8MEN1KMT2ATDP1ADH1B
4-Formylpyridine SCHEMBL25376714 0.83 SLC2A4 (0.51) ALDH1A1CYP2A6MEN1KMT2ATDP1
SCHEMBL14369268 0.82 ALDH1A1 (0.59) HDAC1ALDH1A1CYP2A6TDP1MAOA
SCHEMBL2226596 0.82 ALDH1A1 (0.59) HDAC1ALDH1A1CYP2A6TDP1MAOA
SCHEMBL511052 0.82 HTT (0.58) ALDH1A1CYP2A6ADH1BADH1CADH1A
SCHEMBL510506 0.82 FFAR1 (0.54) HDAC1ALDH1A1CYP2A6MEN1KMT2A
Benzaldehyde SCHEMBL5859019 0.82 ALDH1A1 (0.54) HDAC8HDAC3HDAC1HDAC2ALDH1A1

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-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION ACELOT, INC. 2020-07-16 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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO 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 HDAC8 4120/4885HDAC3 3690/4885HDAC1 3591/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 HDAC8 2917/4885HDAC3 2250/4885HDAC1 2420/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 HDAC8 4120/4885HDAC3 3690/4885HDAC1 3591/4885
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 HDAC8 3686/4885HDAC3 2394/4885HDAC1 3510/4885

“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.