SCHEMBL20745023

SCHEMBL20745023

C=C(c1cc(C(F)(F)F)nn1C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ GRN P28799 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KCNT1 Q5JUK3 6/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL20763628 0.88 KDM4E (0.45) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL20763649 0.84 KDM4E (0.43) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL30305711 0.81 KDM4E (0.49) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL24988730 0.80 LMNA (0.43) KDM4EGRNSORT1
SCHEMBL13064210 0.76 KDM4E (0.51) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL17920 0.76 GRN (0.71) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL951323 0.75 KDM4E (0.50) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL17732 0.75 KDM4E (0.50) KDM4EGRNSORT1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8932269 0.75 GRN (0.69) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL22067596 0.74 TP53 (0.40) KDM4ECYP3A4POLBPTGS1PTGS2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2023-02-28 — — US disclosed
US-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2023-02-28 — — US disclosed
EP-3668866-B1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-01-18 — — EP disclosed
EP-3668866-B1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-01-18 — — EP disclosed
EP-3668866-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-06-24 — — EP disclosed
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-06-11 — — US disclosed
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-06-11 — — US disclosed
CN-111194316-A Pesticidal and parasiticidal pyrazole-isoxazoline compounds 勃林格殷格翰动物保健美国公司 2020-05-22 — — CN disclosed
WO-2019036407-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS MERIAL, INC. (US) 2019-02-21 — — WO disclosed
WO-2019036407-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS MERIAL, INC. (US) 2019-02-21 — — 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 (2 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-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds PRDX1, PRDX5, P2RX7 KDM4E 2063/4885GRN 4758/4885SORT1 4664/4885
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS PRDX1, PRDX5, P2RX7 KDM4E 2063/4885GRN 4758/4885SORT1 4664/4885

“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.

Send feedback