SCHEMBL449033

SCHEMBL449033

C=C1c2cc(Br)ccc2CCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM1A O60341 1/20 0.39
PDE4B Q07343 1/20 0.38
METAP1 P53582 1/20 0.38
MALT1 Q9UDY8 1/20 0.35
BACE1 P56817 4/20 0.35
TYMS P04818 1/20 0.35
TDP2 O95551 1/20 0.33
APP P05067 1/20 0.33
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33

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
SCHEMBL447986 0.79 TDP1 (0.51) TDP1L3MBTL1PARP1PARP10KDM1A
SCHEMBL8778992 0.78 TDP1 (0.39) TDP1L3MBTL1PARP1PARP10KDM1A
SCHEMBL1706762 0.76 KDM1A (0.53) TDP1L3MBTL1KDM1ABACE1TDP2
SCHEMBL6859836 0.76 HTR2A (0.42) L3MBTL1PARP1PARP10KDM1A
SCHEMBL29804270 0.76 KDM1A (0.53) TDP1L3MBTL1KDM1ABACE1TDP2
SCHEMBL17355136 0.74 TDP1 (0.43) TDP1L3MBTL1KDM1AMETAP1BACE1
SCHEMBL2223847 0.74 KDM1A (0.43) PARP1KDM1APDE4BMETAP1BACE1
SCHEMBL9418940 0.70 TDP1 (0.45) TDP1L3MBTL1PARP1PARP10KDM1A
SCHEMBL598138 0.70 TDP1 (0.61) TDP1L3MBTL1PARP1PARP10KDM1A
SCHEMBL29914776 0.70 TDP1 (0.52) TDP1L3MBTL1PARP1PARP10KDM1A

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 TDP1 200/4885L3MBTL1 4213/4885PARP1 1287/4885

“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.