SCHEMBL1532634

SCHEMBL1532634

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nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TP53 P04637 1/20 0.32
PGD P52209 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30

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
SCHEMBL7514176 1.00 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL500326 1.00 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3696339 0.77 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1568445 0.77 CETP (0.42) TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL1931058 0.77 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL499816 0.77 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13761133 0.74 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4756190 0.74 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1604267 0.74 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9494582 0.72 GRIK1 (0.36) TDP1

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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
EP-2308861-A1 Macrocyclic compounds useful as pharmaceuticals Eisai R&D Management Co., Ltd. (JP) 2011-04-13 EP disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-20060247448-A1 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2006-11-02 US 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 (2 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA TDP1 1555/4885CHRM1 1525/4885AKR1A1 716/4885
US-20060247448-A1 Macrocyclic compounds useful as pharmaceuticals FLT1, VEGFA, ARG1 TDP1 2080/4885CHRM1 1324/4885AKR1A1 600/4885

“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.