SCHEMBL18503594

SCHEMBL18503594

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CYP11B2 P19099 1/20 0.37
▸ PTGES O14684 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KCNK3 O14649 2/20 0.36
▸ KCNK9 Q9NPC2 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PTGS1 P23219 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
SCHEMBL18503614 0.93 LMNA (0.41) LMNAGAACHRM3TP53PTGES
SCHEMBL18503593 0.91 P2RX7 (0.41) KIF11LMNAGAACHRM3TP53
SCHEMBL18503606 0.90 KCNQ3 (0.45) KIF11LMNAGAACHRM3TP53
SCHEMBL16760327 0.90 P2RX7 (0.40) LMNAGAACHRM3TP53CYP11B2
SCHEMBL18503619 0.90 TP53 (0.45) LMNAGAACHRM3TP53HCRTR1
SCHEMBL18503618 0.90 LMNA (0.40) LMNAGAACHRM3TP53HCRTR1
SCHEMBL18503634 0.89 LMNA (0.40) KIF11LMNAGAACHRM3TP53
SCHEMBL18503623 0.87 KCNH2 (0.43) CHRM3TP53PTGESP2RX7KCNK3
SCHEMBL18503599 0.87 TP53 (0.39) KIF11LMNAGAACHRM3TP53
SCHEMBL18503597 0.87 POLB (0.42) KIF11TP53CYP11B2PTGESHDAC3

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 KIF11 2971/4885LMNA 2055/4885GAA 1213/4885

“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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