SCHEMBL18010262

SCHEMBL18010262

O=C(CCl)C1=NOC(c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SCN9A Q15858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
S1PR1 P21453 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL1979983 0.87 TSHR (0.47) GSK3BPPARGPPARASCN9ANPC1
SCHEMBL3665372 0.77 PPARG (0.35) PPARGPPARASCN9ASLC6A2SLC6A4
SCHEMBL19270341 0.72 TSHR (0.50) PPARGPPARATSHRL3MBTL1
SCHEMBL3689235 0.72 TSHR (0.47) GSK3BPPARGPPARASCN9AS1PR1
SCHEMBL3680890 0.72 TSHR (0.47) GSK3BPPARGPPARASCN9AS1PR1
SCHEMBL3724306 0.71 BRD4 (0.36) GSK3BCA1CA2ALDH1A1MAPK1
SCHEMBL15867663 0.71 CNR1 (0.45) NPC1RAB9AHIF1AFAAHMEN1
SCHEMBL21610394 0.69 MAOB (0.43) PPARGPPARASCN9ASLC6A2SLC6A4
SCHEMBL21602986 0.69 TAAR1 (0.42) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL12896367 0.69 TEAD1 (0.44) PPARGPPARACA1CA2SLC6A2

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-20160242416-A1 FUNGICIDAL ISOXAZOLINE CARBINOLS DU PONT (US) 2016-08-25 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-20160242416-A1 FUNGICIDAL ISOXAZOLINE CARBINOLS CYP1B1, CHRM1, CYP1A1 GSK3B 220/4885PPARG 3772/4885PPARA 3472/4885

“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.