SCHEMBL21153207

SCHEMBL21153207

COCOc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ATM Q13315 1/20 0.63
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
DRD4 P21917 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL10032816 0.84 MEN1 (0.85) BCHEMEN1KMT2AATMGAA
SCHEMBL12131075 0.84 MEN1 (0.85) BCHEMEN1KMT2AATMGAA
SCHEMBL2587466 0.83 BCHE (1.00) BCHEMEN1KMT2ACA12CA1
SCHEMBL3834709 0.82 BCHE (0.70) BCHEMEN1KMT2AATMGAA
Hydrochloric Acid SCHEMBL4456317 0.81 BCHE (0.97) BCHEMEN1KMT2AGAAMAPT
SCHEMBL6806324 0.81 BCHE (0.69) BCHEMEN1KMT2AATMGAA
SCHEMBL9154589 0.80 LTA4H (0.79) BCHEMEN1KMT2AATMGAA
SCHEMBL9330114 0.80 MEN1 (0.69) BCHEMEN1KMT2AATMGAA
SCHEMBL3837910 0.80 BCHE (0.72) BCHEMEN1KMT2AGAAMAPT
SCHEMBL3272134 0.80 GAA (0.91) BCHEMEN1KMT2AATMGAA

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 BCHE 36/4885MEN1 1428/4885KMT2A 4242/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 BCHE 121/4885MEN1 1060/4885KMT2A 3426/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 BCHE 36/4885MEN1 1428/4885KMT2A 4242/4885
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 BCHE 1481/4885MEN1 4558/4885KMT2A 4255/4885

“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.