SCHEMBL18503597

SCHEMBL18503597

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SCN5A Q14524 2/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ PTGES O14684 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ HSD17B1 P14061 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) POLBKCNH2SCN5ASCN9APTGES
SCHEMBL18503585 0.90 POLB (0.46) POLBKCNH2SCN5ASCN9APTGES
SCHEMBL18503594 0.87 KIF11 (0.41) KCNH2SCN5ASCN9APTGESKIF11
SCHEMBL18503593 0.86 P2RX7 (0.41) KIF11TP53
SCHEMBL18503606 0.85 KCNQ3 (0.45) PTGESKIF11TP53CYP11B2HDAC3
SCHEMBL19566551 0.85 CYP11B1 (0.48) PTGESKIF11TP53CYP11B2CYP11B1
SCHEMBL18503599 0.85 TP53 (0.39) KCNH2SCN5ASCN9APTGESMAPT
SCHEMBL18503634 0.84 LMNA (0.40) KCNH2SCN5ASCN9APTGESKIF11
SCHEMBL18512983 0.84 KIF11 (0.44) PTGESKIF11TP53ABL1
SCHEMBL18503596 0.84 CYP11B2 (0.60) PTGESTP53CYP11B2SLC22A12CYP11B1

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 4640/4885KCNH2 334/4885SCN5A 506/4885

“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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