SCHEMBL2104528

SCHEMBL2104528

Cc1[c]c(C)c(-c2cccnc2)c(SC(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.33
CYP3A4 P08684 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 2/20 0.32
ALK Q9UM73 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KIF11 P52732 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
PDK2 Q15119 1/20 0.30
NPY5R Q15761 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
SCHEMBL15323824 0.80 PIK3CD (0.30)
SCHEMBL2105940 0.80
SCHEMBL2106371 0.80 GABRP (0.31) CYP1A2PIM1
SCHEMBL2103081 0.79
SCHEMBL2105620 0.79 ALDH1A1 (0.33) CYP2A6CYP3A4SLC22A12ALDH1A1CYP1A2
SCHEMBL2107562 0.78 CYP2A6 (0.34) CYP2A6CYP3A4ALDH1A1CYP1A2ALK
SCHEMBL15324459 0.78
SCHEMBL2105486 0.78 PTGS2 (0.32)
SCHEMBL2105406 0.76
SCHEMBL1949903 0.76 CYP2A6 (0.37) CYP2A6CYP3A4ALDH1A1CYP1A2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563736-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 CYP2A6 168/4885CYP3A4 76/4885SLC22A12 3915/4885

“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.