SCHEMBL5620196

SCHEMBL5620196

O=C1CCC(c2ccc(-c3ccc(SC(F)(F)F)cc3)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
HDAC2 Q92769 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SYK P43405 3/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CMA1 P23946 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRZ1 P23471 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
SCHEMBL13945017 1.00 KIF11 (0.39) KIF11HDAC2PDE4APDE4BPDE4C
SCHEMBL14458019 0.95 PDE4A (0.40) KIF11HDAC2PDE4APDE4BPDE4C
SCHEMBL14457993 0.81 IKBKB (0.35) KIF11PARP1PARP2KDM4EALDH1A1
SCHEMBL14458020 0.80 PDE4A (0.43) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL4148437 0.78 GRIN2B (0.49) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5889322 0.78 GRIN2B (0.49) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL10252171 0.78 IKBKB (0.45) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL14458014 0.76 ESR2 (0.51) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL22201144 0.76 PARP1 (0.48) KIF11HDAC2PDE4APDE4BPDE4C
SCHEMBL22190351 0.76 PARP1 (0.48) KIF11HDAC2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-20040147764-A1 Method for production of delta 1-pyrrolines BAYER CROPSCIENCE AG (DE) 2004-07-29 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 (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-20040147764-A1 Method for production of delta 1-pyrrolines AR, NR5A1, SRD5A1 KIF11 3938/4885HDAC2 2642/4885PDE4A 1765/4885

“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.