SCHEMBL21153231

SCHEMBL21153231

COc1ccc(CCNCCc2ccc(NC(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ADRB2 P07550 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ATM Q13315 1/20 0.48
ADRB3 P13945 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
SCHEMBL28661867 0.84 SMN1; SMN2 (0.65) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL633443 0.82 ALDH1A1 (0.60) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL23374681 0.78 SMN1; SMN2 (0.63) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL254573 0.78 SMN1; SMN2 (0.72) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL4614753 0.78 MEN1 (0.71) MEN1KMT2AKDM4EPOLBHTT
SCHEMBL6469311 0.78 SMN1; SMN2 (0.57) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL10077132 0.77 ALDH1A1 (0.55) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL21154593 0.77 MAPT (0.71) MAPTMEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL9740760 0.76 SMN1; SMN2 (0.56) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL4290489 0.76 TAAR1 (0.66) MAPTMEN1KMT2AKDM4EHTT

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 3 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-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 (3 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 MAPT 6/4885MEN1 1428/4885KMT2A 4242/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 MAPT 6/4885MEN1 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 MAPT 4/4885MEN1 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.