SCHEMBL25812119

SCHEMBL25812119

CCN(CC)CCNC(=O)c1ccc2c(ccn2I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 2/20 0.53
PMP22 Q01453 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
NFKB1 P19838 1/20 0.51
KCNH2 Q12809 1/20 0.51
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SCN1A P35498 1/20 0.48

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
SCHEMBL6251414 0.88 LMNA (0.54) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL2442620 0.78 LMNA (0.58) LMNAALDH1A1SLC22A2SLC22A1TSHR
Hydrochloric Acid SCHEMBL2444507 0.77 LMNA (0.59) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL15219324 0.76 ALDH1A1 (0.59) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL25811313 0.76 HDAC1 (0.57) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL13426153 0.75 LMNA (0.58) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL22043064 0.75 ALDH1A1 (0.74) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL11919098 0.75 LMNA (0.58) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL25813246 0.74 LMNA (0.50) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL1209964 0.74 LMNA (0.72) LMNAALDH1A1SLC22A2SLC22A1TSHR

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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 LMNA 2606/4885ALDH1A1 4430/4885SLC22A2 2506/4885

“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.