SCHEMBL18503606

SCHEMBL18503606

O=C(NCC(F)(F)c1ccc(-c2ccc(Cl)nc2)cc1F)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.45
▸ KCNQ2 O43526 2/20 0.45
▸ KCNE1 P15382 2/20 0.45
▸ KCNQ1 P51787 2/20 0.45
▸ KIF11 P52732 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CYP11B2 P19099 2/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ PTGES O14684 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL18503610 0.92 LMNA (0.40) KCNQ3KCNQ2KCNE1KCNQ1LMNA
SCHEMBL18503634 0.91 LMNA (0.40) KCNQ3KCNQ2KCNE1KCNQ1KIF11
SCHEMBL16771948 0.91 AKR1C3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1LMNA
SCHEMBL18503594 0.90 KIF11 (0.41) KIF11LMNACHRM3TP53GAA
SCHEMBL18503593 0.89 P2RX7 (0.41) KIF11LMNACHRM3TP53GAA
SCHEMBL18503628 0.87 HDAC6 (0.42) KCNQ3KCNQ2KCNE1KCNQ1KIF11
SCHEMBL19566549 0.86 P2RX7 (0.47) KIF11LMNACHRM3TP53GAA
SCHEMBL18503597 0.85 POLB (0.42) KIF11TP53CYP11B2CYP11B1PTGES
SCHEMBL18503599 0.85 TP53 (0.39) KIF11LMNACHRM3TP53GAA
SCHEMBL18503595 0.85 CYP11B2 (0.42) LMNACHRM3TP53GAAP2RX7

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 KCNQ3 237/4885KCNQ2 144/4885KCNE1 353/4885

“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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