SCHEMBL6209711

SCHEMBL6209711

C=C1CCCc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
PARP10 Q53GL7 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 1/20 0.44
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
PNMT P11086 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
CHEK2 O96017 1/20 0.35
ROS1 P08922 1/20 0.35
MARK3 P27448 1/20 0.35
LTK P29376 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
AURKB Q96GD4 1/20 0.35
PBK Q96KB5 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
SCHEMBL30643139 1.00 METAP1 (0.46) METAP1PARP10TDP1L3MBTL1PARP1
SCHEMBL3362722 0.88 TDP1 (0.52) METAP1PARP10TDP1L3MBTL1PARP1
SCHEMBL29914776 0.88 TDP1 (0.52) METAP1PARP10TDP1L3MBTL1PARP1
SCHEMBL14059697 0.85 METAP1 (0.57) METAP1PARP10TDP1L3MBTL1PARP1
SCHEMBL6212303 0.84 METAP1 (0.50) METAP1PARP10CCNB2CDK1CCNB1
SCHEMBL12676043 0.80 PBRM1 (0.50) TYMS
SCHEMBL23264456 0.76 L3MBTL1 (0.62) PARP10TDP1L3MBTL1PARP1CCNB2
SCHEMBL18533320 0.76 TDP2 (0.37) PNMTTYMSTDP2
SCHEMBL9948229 0.76 PARP10 (0.44) METAP1PARP10TDP1L3MBTL1PARP1
SCHEMBL29483386 0.76 MAOA (0.53) METAP1PARP10TDP1L3MBTL1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 WO disclosed
US-11634445-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-04-25 US disclosed
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594494-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
US-20040224939-A1 Antibacterial agents CHUPAK LOUIS S (US) 2004-11-11 US disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004069244-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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 (5 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-20040224939-A1 Antibacterial agents MRPL21, RPN2, FBL METAP1 1649/4885PARP10 2953/4885TDP1 2355/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP METAP1 492/4885PARP10 534/4885TDP1 82/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP METAP1 492/4885PARP10 534/4885TDP1 82/4885
US-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL METAP1 1649/4885PARP10 2953/4885TDP1 2355/4885
US-11634445-B2 Organic electroluminescent materials and devices L1CAM, EPCAM, SOD1 METAP1 3561/4885PARP10 2906/4885TDP1 2872/4885

“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.