SCHEMBL25463239

SCHEMBL25463239

Cc1nc(-c2ccc(C(Cl)(Cl)Cl)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
RAB9A P51151 6/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL13415301 0.84 L3MBTL1 (0.69) PLK1L3MBTL1CA12CA1CA2
SCHEMBL417374 0.84 NPC1 (0.61) PLK1L3MBTL1CA12CA1CA2
SCHEMBL6986340 0.82 LMNA (0.67) PLK1L3MBTL1CA12CA1CA2
SCHEMBL2359857 0.79 NR1H4 (0.66) PLK1L3MBTL1CA12CA1CA2
SCHEMBL2967349 0.79 L3MBTL1 (0.62) PLK1L3MBTL1CA12CA1CA2
SCHEMBL20680152 0.76 HDAC4 (0.58)
SCHEMBL753304 0.76 L3MBTL1 (0.58) PLK1L3MBTL1CA12CA1CA2
SCHEMBL1170085 0.76 NR1H4 (0.59) PLK1L3MBTL1CA12CA1CA2
SCHEMBL13621955 0.76 L3MBTL1 (0.58) PLK1L3MBTL1CA12CA1CA2
SCHEMBL1353609 0.76 CA12 (0.62) PLK1L3MBTL1CA12CA1CA2

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-20230145982-A1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES BASF SE (DE) 2023-05-11 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-20230145982-A1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES CYP4F3, ACOX3, PEX3 PLK1 3946/4885L3MBTL1 4700/4885CA12 1937/4885

“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.