SCHEMBL21153196

SCHEMBL21153196

c1ccc(CNCc2ccc(C3OCCO3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2C P28335 1/20 0.44
BCHE P06276 1/20 0.43
LTA4H P09960 2/20 0.41
MAOA P21397 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL16388357 0.83 CALM1 (0.48) MEN1KMT2ALTA4HCYP2C19CHRM2
SCHEMBL509904 0.83 MEN1 (0.47) MEN1KMT2ACYP2C19
SCHEMBL28341270 0.82 ALDH1A1 (0.55) MEN1KMT2AHDAC8HDAC6
SCHEMBL21153197 0.77 MAOA (0.63) MAOACA2HDAC8HDAC6
SCHEMBL366283 0.76 CYP2C19 (0.62) MEN1KMT2ACYP2C19
Fluoride SCHEMBL634375 0.76 MEN1 (0.74) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL10054993 0.76 MEN1 (0.74) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL18259873 0.76 NPC1 (0.58) MEN1KMT2ACA1CA2
SCHEMBL5799878 0.73 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
Benzene SCHEMBL11697595 0.73 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA

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-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

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 MEN1 1428/4885KMT2A 4242/4885TDP1 395/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 MEN1 1060/4885KMT2A 3426/4885TDP1 467/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 MEN1 1428/4885KMT2A 4242/4885TDP1 395/4885
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 MEN1 4558/4885KMT2A 4255/4885TDP1 8/4885

“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.