SCHEMBL23033247

SCHEMBL23033247

CC(=O)Nc1ccc(CNCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAF1 P04049 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
SCN8A Q9UQD0 1/20 0.48
IDO1 P14902 1/20 0.46
PTPN1 P18031 1/20 0.46
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FFAR1 O14842 1/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45

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
SCHEMBL23033084 0.88 IDO1 (0.49) MEN1MAPK1KMT2ASMN1; SMN2CYP1A2
SCHEMBL23033249 0.88 SMN1; SMN2 (0.51) MEN1MAPK1KMT2ASMN1; SMN2CYP1A2
SCHEMBL23033082 0.85 RAF1 (0.54) SMN1; SMN2RAF1POLB
SCHEMBL23033397 0.85 CNR1 (0.61) MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL29521416 0.84 HDAC1 (0.64) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL21114827 0.84 HDAC1 (0.64) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL8008823 0.78 ADRB1 (0.74)
SCHEMBL3940149 0.78 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL23033398 0.77 RHOC (0.56) MEN1KMT2ASCN8ACNR1
SCHEMBL11922722 0.76 SCN8A (0.57) MEN1KMT2ASMN1; SMN2CYP1A2SCN8A

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 MEN1 4558/4885MAPK1 1738/4885KMT2A 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.