SCHEMBL31335285

SCHEMBL31335285

O=C/C=C/c1ccc(Br)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
CCNB2 O95067 3/20 0.47
CDK1 P06493 3/20 0.47
CDK4 P11802 3/20 0.47
CCNB1 P14635 3/20 0.47
CCND1 P24385 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TRPA1 O75762 2/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
VCP P55072 1/20 0.41
NFE2L2 Q16236 3/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34

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
SCHEMBL21676224 1.00 XDH (0.48) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL21676111 0.85 VCP (0.57) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL11045503 0.82 NFE2L2 (0.53) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL2126131 0.82 NFE2L2 (0.53) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL30569765 0.82 NFE2L2 (0.53) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL31335437 0.81 NFE2L2 (0.39) VCPNFE2L2AKR1C3AKR1C2MAOA
SCHEMBL361060 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EVCPMGAMGAA
SCHEMBL12651352 0.78 XDH (0.50) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL22417964 0.77 XDH (0.48) XDHCCNB2CDK1CDK4CCNB1
SCHEMBL14990172 0.77 XDH (0.48) XDHCCNB2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719605-A1 CHEMICAL COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.4) Limited (GB) 2026-04-08 EP disclosed
US-20260015321-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2026-01-15 US disclosed
WO-2024246862-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 4) LIMITED (GB) 2024-12-05 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-20260015321-A1 CHEMICAL COMPOUNDS AND USES THEREOF WRN, MSH2, MSH6 XDH 962/4885CCNB2 1089/4885CDK1 1112/4885

“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.