SCHEMBL23033243

SCHEMBL23033243

CC(=O)Nc1ccc(CNCC(C)c2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.53
ADRB2 P07550 5/20 0.53
ADRB1 P08588 5/20 0.53
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.44
PTPN1 P18031 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL23033274 0.89 KMT2A (0.45) ADRB3ADRB2ADRB1LMNAKDM4E
SCHEMBL23032939 0.85 KMT2A (0.52) LMNAKMT2APTPN1POLBMEN1
SCHEMBL23033273 0.81 RHOC (0.45) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL23032938 0.79 RORC (0.40) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL23033275 0.78 RORC (0.60) LMNAKDM4EGAATDP1ALDH1A1
SCHEMBL21114827 0.77 HDAC1 (0.64) LMNAGAAKMT2APTPN1SCN8A
SCHEMBL29521416 0.77 HDAC1 (0.64) LMNAGAAKMT2APTPN1SCN8A
SCHEMBL9242628 0.76 ADRB3 (0.66) ADRB3ADRB2ADRB1LMNASLC2A1
SCHEMBL8916253 0.74 ALDH1A1 (0.48) KDM4EGAATDP1ALDH1A1KMT2A
SCHEMBL31202692 0.73 POLB (0.54) KDM4EGAATDP1ALDH1A1KMT2A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 ADRB3 915/4885ADRB2 2673/4885ADRB1 2037/4885

“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.