SCHEMBL18503618

SCHEMBL18503618

O=C(NCC(F)(F)c1c(F)cc(-c2ccc(F)nc2)cc1F)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTGES O14684 5/20 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
▸ TRPV1 Q8NER1 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ SCD O00767 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
SCHEMBL18503594 0.90 KIF11 (0.41) LMNAGAATP53PTGESHDAC3
SCHEMBL18503614 0.86 LMNA (0.41) LMNAGAATP53PTGESKCNK3
SCHEMBL19566558 0.86 TP53 (0.48) LMNAGAATP53HDAC3HDAC1
SCHEMBL16760327 0.84 P2RX7 (0.40) LMNAGAATP53PTGESP2RX7
SCHEMBL18503619 0.84 TP53 (0.45) LMNAGAATP53PTGESKCNK3
SCHEMBL17917768 0.83 P2RX7 (0.39) LMNAGAATP53PTGESP2RX7
SCHEMBL18503623 0.81 KCNH2 (0.43) TP53PTGESP2RX7KCNK3KCNK9
SCHEMBL18503593 0.80 P2RX7 (0.41) LMNAGAATP53P2RX7CHRM3
SCHEMBL18503606 0.80 KCNQ3 (0.45) LMNAGAATP53PTGESHDAC3
SCHEMBL18503634 0.78 LMNA (0.40) LMNAGAATP53PTGESHDAC3

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 LMNA 2055/4885GAA 1213/4885TP53 4823/4885

“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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