SCHEMBL447606

SCHEMBL447606

O=C1c2cc(Br)ccc2CCC1CC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
ACHE P22303 2/20 0.43
SLC6A4 P31645 1/20 0.41
CYP19A1 P11511 2/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC2A1 P11166 1/20 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
SCHEMBL9636853 0.84 PARP1 (0.44) PARP1PARP10ACHESLC6A4ITGB3
SCHEMBL448182 0.77 ACHE (0.46) ACHE
SCHEMBL29679345 0.74 CYP19A1 (0.59) CYP19A1TDP1L3MBTL1
SCHEMBL18321998 0.74 CYP19A1 (0.49) PARP1PARP10CYP19A1ITGB3ITGA2B
SCHEMBL10686519 0.74 CYP19A1 (0.59) CYP19A1TDP1L3MBTL1
SCHEMBL28733931 0.74 CYP19A1 (0.59) CYP19A1TDP1L3MBTL1
SCHEMBL10858599 0.74 METAP1 (0.60) CYP19A1
SCHEMBL29405721 0.74 CYP19A1 (0.49) PARP1PARP10CYP19A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL10853732 0.73 METAP1 (0.63)
Iodide SCHEMBL9132621 0.73 CYP19A1 (0.42) PARP1PARP10CYP19A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 PARP1 1287/4885PARP10 607/4885ACHE 78/4885

“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.