SCHEMBL18503585

SCHEMBL18503585

COc1ccc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(Cl)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ PTGES O14684 4/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ SCN5A Q14524 2/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ P2RX7 Q99572 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL18503613 0.92 POLB (0.43) POLBMAPTPTGESKCNH2SCN5A
SCHEMBL18503586 0.90 PTGES (0.39) POLBMAPTPTGESSCN9AABL1
SCHEMBL18503597 0.90 POLB (0.42) POLBMAPTPTGESKCNH2SCN5A
SCHEMBL16771948 0.88 AKR1C3 (0.41) POLBPTGESP2RX7
SCHEMBL16760327 0.87 P2RX7 (0.40) POLBPTGESP2RX7
SCHEMBL18503588 0.87 P2RX7 (0.46) P2RX7
SCHEMBL18503633 0.85 PTGES (0.38) POLBMAPTPTGESKCNH2SCN5A
SCHEMBL18503625 0.83 CHRM3 (0.40) PTGESSCN5ASCN9AP2RX7
SCHEMBL19566578 0.83 ROCK2 (0.41) MAPTPTGESSCN9AP2RX7
SCHEMBL19566547 0.83 CHRM3 (0.45) POLBMAPTPTGESP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — US disclosed
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — 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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES ACHE, DDT, DNPH1 POLB 4640/4885MAPT 3764/4885PTGES 679/4885

“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.

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