SCHEMBL4128767

SCHEMBL4128767

OCC(=Cc1cc(Cl)sc1Cl)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 2/20 0.37
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KCNMA1 Q12791 1/20 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
SCHEMBL1040195 1.00 HTT (0.39) HTTMAPK1RAB9ANQO2PTGS1
SCHEMBL1039562 0.76 HTT (0.42) HTTMAPK1RAB9ANQO2KDM4E
SCHEMBL4151009 0.76 HTT (0.42) HTTMAPK1RAB9ANQO2KDM4E
SCHEMBL9734139 0.75 MAPT (0.48) HTTRAB9ANQO2MEN1LMNA
SCHEMBL9734131 0.75 MAPT (0.48) HTTRAB9ANQO2MEN1LMNA
SCHEMBL4506296 0.71 NFE2L2 (0.46) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL4364965 0.71 NFE2L2 (0.46) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL12486822 0.67 NQO2 (0.47) RAB9ANQO2PTGS1PTGS2MEN1
SCHEMBL9977621 0.67 TRPA1 (0.42) RAB9ANQO2PTGS1PTGS2LMNA
SCHEMBL9977558 0.67 TRPA1 (0.42) RAB9ANQO2PTGS1PTGS2LMNA

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 3905/4885MAPK1 2890/4885RAB9A 4309/4885

“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.