SCHEMBL22959441

SCHEMBL22959441

Cn1c(C(=O)OCc2ccc(I)cc2)cccc1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MMP1 P03956 6/20 0.40
MMP9 P14780 5/20 0.40
MMP2 P08253 5/20 0.40
MMP12 P39900 5/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 2/20 0.36

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
SCHEMBL26740596 0.87 MMP2 (0.53) NPC1RAB9AMMP1MMP9MMP2
SCHEMBL30636845 0.86 NPC1 (0.47) NPC1RAB9AMMP1MMP9MMP2
SCHEMBL26630668 0.78 ALDH1A1 (0.36) RXRARXRBKMT2ALMNASMN1; SMN2
SCHEMBL1839413 0.77 CA12 (0.49) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2404923 0.75 ALDH1A1 (0.50) MMP1MMP9MMP12LMNASLC6A2
SCHEMBL2413275 0.72 KDM4E (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL1837909 0.70 ALDH1A1 (0.55) NPC1RAB9AMMP1MMP9MMP2
SCHEMBL29217407 0.69 KMT2A (0.76) NPC1RAB9ARXRARXRBKMT2A
SCHEMBL2705870 0.69 TDP1 (0.54) NPC1RAB9AMMP1MMP9MMP2
SCHEMBL16056361 0.69 APP (0.39) NPC1RAB9ARXRARXRBKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357154-A1 BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2023-11-09 US disclosed
US-20230357154-A1 BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2023-11-09 US disclosed
US-20230357154-A1 BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2023-11-09 US disclosed
WO-2021026429-A1 BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2021-02-11 WO 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-20230357154-A1 BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM BCHE, ACHE, CHAT NPC1 608/4885RAB9A 1521/4885MMP1 684/4885

“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.