SCHEMBL16760309

SCHEMBL16760309

CC(F)(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(-c2ccc(F)nc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTGES O14684 5/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ KDR P35968 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
SCHEMBL16760327 0.90 P2RX7 (0.40) P2RX7TP53PTGESLMNAGAA
SCHEMBL17917776 0.90 P2RX7 (0.39) P2RX7TP53PTGESLMNAGAA
SCHEMBL18512984 0.88 HDAC6 (0.41) P2RX7SCN9A
SCHEMBL16760312 0.86 TP53 (0.41) P2RX7TP53PTGESLMNAGAA
SCHEMBL17917768 0.83 P2RX7 (0.39) P2RX7TP53PTGESLMNAGAA
SCHEMBL18503614 0.83 LMNA (0.41) TP53PTGESLMNAGAAKCNK3
SCHEMBL16771888 0.82 P2RX7 (0.49) P2RX7TP53
SCHEMBL18503619 0.82 TP53 (0.45) TP53PTGESLMNAGAAKCNK3
SCHEMBL18503594 0.82 KIF11 (0.41) P2RX7TP53PTGESLMNAGAA
SCHEMBL16211782 0.81 KDM4E (0.50) P2RX7TP53PTGESLMNAGAA

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 6 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
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — US disclosed
EP-3073827-A1 NEW PESTICIDAL COMPOUNDS AND USES Bayer Animal Health GmbH (DE) 2016-10-05 — — EP disclosed
WO-2015078800-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER CROPSCIENCE AG (DE) 2015-06-04 — — WO disclosed
WO-2015078800-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER CROPSCIENCE AG (DE) 2015-06-04 — — WO 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 P2RX7 74/4885TP53 4823/4885PTGES 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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