SCHEMBL29416682

SCHEMBL29416682

O=C(CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12)NCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
ORAI1 Q96D31 1/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAP Q12884 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PREP P48147 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL119082 1.00 PTGES (0.32) PTGESORAI1KMT2AKDM4EATM
SCHEMBL3113195 1.00 PTGES (0.32) PTGESORAI1KMT2AKDM4EATM
SCHEMBL20117288 1.00 PTGES (0.32) PTGESORAI1KMT2AKDM4EATM
Afoxolaner SCHEMBL18054743 0.94 PTGES (0.33) PTGESHPGDPOLB
Esafoxolaner SCHEMBL18054742 0.94 PTGES (0.33) PTGESHPGDPOLB
Afoxolaner SCHEMBL119580 0.94 PTGES (0.33) PTGESHPGDPOLB
Afoxolaner SCHEMBL29367347 0.94 PTGES (0.33) PTGESHPGDPOLB
Afoxolaner SCHEMBL29358921 0.94 PTGES (0.33) PTGESHPGDPOLB
SCHEMBL21168921 0.94 LMNA (0.32) PTGESORAI1KDM4EFAP
Esafoxolaner SCHEMBL29413811 0.94 PTGES (0.33) PTGESHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056008-A1 PYRIPYROPENE DERIVATIVE, AND COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2025-03-20 WO disclosed
US-20240382454-A1 ANTIPARASITIC ISOXAZOLINE COMPOUNDS, LONG-ACTING INJECTABLE FORMULATIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2024-11-21 US disclosed
US-12083100-B1 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2024-09-10 US disclosed
EP-2699563-B3 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2024-06-12 EP disclosed
US-11497732-B2 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2022-11-15 US disclosed
CN-114573573-A Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-06-03 CN disclosed
CN-109068651-B Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-03-01 CN 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 (3 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-12083100-B1 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof IL17A, MMP17, MMP1 PTGES 300/4885ORAI1 3729/4885KMT2A 3699/4885
US-20240382454-A1 ANTIPARASITIC ISOXAZOLINE COMPOUNDS, LONG-ACTING INJECTABLE FORMULATIONS COMPRISING THEM, METHODS AND USES THEREOF IL17A, MMP17, MMP1 PTGES 300/4885ORAI1 3729/4885KMT2A 3699/4885
US-11497732-B2 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof IL17A, MMP17, MMP1 PTGES 300/4885ORAI1 3729/4885KMT2A 3699/4885

“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.