SCHEMBL4151009

SCHEMBL4151009

O=CC(=Cc1cc(Cl)sc1Cl)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
NQO2 P16083 2/20 0.37
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
DAO P14920 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL1039562 1.00 HTT (0.42) HTTRAB9AMAPK1NQO2ALDH1A1
SCHEMBL1040195 0.76 HTT (0.39) HTTRAB9AMAPK1NQO2ALDH1A1
SCHEMBL4128767 0.76 HTT (0.39) HTTRAB9AMAPK1NQO2ALDH1A1
SCHEMBL3720479 0.75 MAPT (0.51) HTTRAB9ANQO2ALDH1A1SMN1; SMN2
SCHEMBL9364332 0.75 MAPT (0.51) HTTRAB9ANQO2ALDH1A1SMN1; SMN2
SCHEMBL3720477 0.75 MAPT (0.51) HTTRAB9ANQO2ALDH1A1SMN1; SMN2
SCHEMBL27832850 0.71 ALDH1A1 (0.59) HTTNQO2ALDH1A1MEN1HSP90AA1
SCHEMBL30873483 0.71 NQO2 (0.52) HTTRAB9ANQO2ALDH1A1SMN1; SMN2
SCHEMBL3928356 0.71 NFE2L2 (0.49) RAB9ATDP1MEN1KMT2ANPC1
SCHEMBL4498407 0.71 NFE2L2 (0.49) RAB9ATDP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197929-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Agents Containing Said Compounds BASF SE (DE) 2009-08-06 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-20090197929-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Agents Containing Said Compounds CBR3, PPOX, CBR1 HTT 3905/4885RAB9A 4309/4885MAPK1 2890/4885

“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.