SCHEMBL430947

SCHEMBL430947

CC1(C)Cc2ccc(Br)cc2C2(C1)NC(=O)NC2=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.43
AKR1A1 P14550 1/20 0.43
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BACE1 P56817 3/20 0.38

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
SCHEMBL427841 0.78 BACE1 (0.52) BACE1
SCHEMBL11349311 0.77 TSHR (0.65) AKR1B1AKR1A1TSHRTDP1
SCHEMBL1821638 0.76 CTSD (0.47) AKR1B1AKR1A1BACE1
SCHEMBL430936 0.76 BACE1 (0.63) BACE1
SCHEMBL448169 0.75 AKR1B1 (0.36) AKR1B1AKR1A1BACE1
SCHEMBL448629 0.74 AKR1B1 (0.67) AKR1B1AKR1A1TSHRTDP1
SCHEMBL2551671 0.73 AKR1B1 (0.43) AKR1B1AKR1A1TSHRTDP1
SCHEMBL7891204 0.72 BACE1 (0.59) AKR1B1AKR1A1TSHRTDP1BACE1
SCHEMBL447608 0.72 BACE1 (0.42) BACE1
SCHEMBL1820315 0.70 AKR1B1 (0.39) AKR1B1AKR1A1

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 5 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
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
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
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 172/4885TSHR 4602/4885

“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.