SCHEMBL448629

SCHEMBL448629

O=C1NC(=O)C2(CCCc3ccc(Br)cc32)N1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.67
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AKR1A1 P14550 1/20 0.42

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
SCHEMBL11349311 0.91 TSHR (0.65) AKR1B1TSHRTDP1AKR1A1
SCHEMBL11334842 0.90 AKR1B1 (0.65) AKR1B1TSHRTDP1
SCHEMBL11341929 0.82 AKR1B1 (0.67) AKR1B1TSHRTDP1
SCHEMBL11348571 0.82 AKR1B1 (0.67) AKR1B1TSHRTDP1AKR1A1
SCHEMBL10131269 0.81 TSHR (0.63) AKR1B1TSHRTDP1
SCHEMBL17606047 0.81 TSHR (0.63) AKR1B1TSHRTDP1
SCHEMBL17606065 0.81 TSHR (0.63) AKR1B1TSHRTDP1
SCHEMBL1395366 0.80 AKR1B1 (1.00) AKR1B1TSHRTDP1
SCHEMBL11338031 0.79 AKR1B1 (0.62) AKR1B1TSHRTDP1
SCHEMBL11334633 0.78 AKR1B1 (0.60) AKR1B1TSHRTDP1

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 112/4885TSHR 4602/4885TDP1 200/4885

“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.