SCHEMBL23033397

SCHEMBL23033397

CC(=O)Nc1ccc(CNCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.61
HTT P42858 1/20 0.60
FPR2 P25090 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL29521416 0.85 HDAC1 (0.64) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21114827 0.85 HDAC1 (0.64) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23033247 0.85 MEN1 (0.56) CNR1SMN1; SMN2KMT2AMEN1
SCHEMBL23033249 0.84 SMN1; SMN2 (0.51) CNR1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL23033084 0.81 IDO1 (0.49) CNR1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL23033398 0.80 RHOC (0.56) CNR1HTTKMT2AMEN1KDM4E
SCHEMBL579606 0.80 OPRM1 (0.65) KMT2AMEN1NPSR1KDM4E
SCHEMBL11922722 0.80 SCN8A (0.57) HTTNPC1RAB9ACA12CA1
SCHEMBL579570 0.79 CYP1A2 (0.53) CNR1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL197282 0.79 SMN1; SMN2 (0.67) CNR1HTTNPC1RAB9ACA12

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 CNR1 4185/4885HTT 1/4885FPR2 4519/4885

“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.