SCHEMBL5429209

SCHEMBL5429209

Brc1ccc2[nH]cc(-c3nccs3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.52
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 3/20 0.52
CCNB2 O95067 2/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
PRKACA P17612 2/20 0.52
PRKACG P22612 2/20 0.52
PRKACB P22694 2/20 0.52
CSNK1A1 P48729 2/20 0.52
CSNK1D P48730 2/20 0.52
CSNK1E P49674 2/20 0.52
GSK3B P49841 2/20 0.52
CSNK1G2 P78368 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
CSNK1G1 Q9HCP0 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
PIM1 P11309 1/20 0.52

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
5-Fluorocamalexin SCHEMBL12993647 0.82 MAP3K14 (0.52) PIM1HTR1AHTR7HTR6HTR2A
5-Methoxycamalexin SCHEMBL12993651 0.79 MAP3K14 (0.55) GSK3BCYP1A2HTR1AHTR7HTR6
Camalexin SCHEMBL343413 0.78 HSD17B10 (0.51) CLK1CDK5CDK5R1CDK1CCNB1
SCHEMBL5429556 0.77 GPR84 (0.62) CLK1CDK5CDK5R1CCNB2CDK1
SCHEMBL22591300 0.76 GPR84 (0.46) CLK1CDK5CDK5R1CCNB2CDK1
SCHEMBL4290310 0.75 FLT3 (0.56) CDK5PRKACACSNK1A1CSNK1DGSK3B
6-Fluorocamalexin SCHEMBL12993648 0.73 TDO2 (0.55) GPR84
SCHEMBL22591375 0.73 GPR84 (0.44) CLK1CDK5CDK5R1CCNB2CDK1
SCHEMBL25034344 0.72 MEN1 (0.60) CLK1CDK5CDK5R1CCNB2CDK1
SCHEMBL11757620 0.72 PIM1 (0.60) CLK1CDK5CDK5R1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380815-B Plant protection camalexin derivative and preparation method and application thereof 河北工业大学 2024-05-31 CN disclosed
CN-114380815-A Phytoalexin derivative and preparation method and application thereof 河北工业大学 2022-04-22 CN disclosed
US-20070149514-A1 Indole-phenylsulfonamide derivatives used as ppar-delta activating compounds BAYER HEALTHCARE AG (DE) 2007-06-28 US disclosed
US-20070149514-A1 Indole-phenylsulfonamide derivatives used as ppar-delta activating compounds BAYER HEALTHCARE AG (DE) 2007-06-28 US disclosed
US-20070149514-A1 Indole-phenylsulfonamide derivatives used as ppar-delta activating compounds BAYER HEALTHCARE AG (DE) 2007-06-28 US disclosed
EP-1583743-A1 INDOLE-PHENYLSULFONAMIDE DERIVATIVES USED AS PPAR-DELTA ACTIVATING COMPOUNDS Bayer HealthCare AG (DE) 2005-10-12 EP disclosed
WO-2004060871-A1 INDOLE-PHENYLSULFONAMIDE DERIVATIVES USED AS PPAR-DELTA ACTIVATING COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-07-22 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-20070149514-A1 Indole-phenylsulfonamide derivatives used as ppar-delta activating compounds PPARD, PPARA, PPARG CLK1 2036/4885CDK5 1059/4885CDK5R1 828/4885

“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.