SCHEMBL447809

SCHEMBL447809

CC1CCc2ccc(Br)cc2C12NC(=O)NC2=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.42
AKR1A1 P14550 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
BACE1 P56817 1/20 0.37
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL446718 0.80 BACE1 (0.50) AKR1B1LMNAPKMBACE1
SCHEMBL445942 0.77 BACE1 (0.48) BACE1
SCHEMBL15605998 0.74 ALDH1A1 (0.33) AKR1B1TSHRTDP1
SCHEMBL17655629 0.74 ALDH1A1 (0.33) AKR1B1TSHRTDP1
SCHEMBL11349311 0.71 TSHR (0.65) AKR1B1AKR1A1KDM1ATSHRTDP1
SCHEMBL448245 0.69 AKR1B1 (0.34) AKR1B1AKR1A1BACE1CYP3A4
SCHEMBL448629 0.69 AKR1B1 (0.67) AKR1B1AKR1A1TSHRTDP1
SCHEMBL17605435 0.68 TSHR (0.45) AKR1B1TSHRTDP1
SCHEMBL891809 0.68 BACE1 (0.39) AKR1B1AKR1A1BACE1POLBCYP3A4
SCHEMBL7881240 0.66 BACE1 (0.69) BACE1

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 AKR1B1 112/4885AKR1A1 172/4885LMNA 463/4885

“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.