SCHEMBL16689398

SCHEMBL16689398

Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.41
EGLN1 Q9GZT9 1/20 0.35
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
SPR P35270 8/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23784649 0.91 RORC (0.35) RORCEGLN1PIK3CAMTORKDM4E
SCHEMBL16688227 0.89 RORC (0.40) RORCEGLN1PIK3CAMTORSPR
SCHEMBL16689412 0.89 HTT (0.34) RORCKDM4ELMNAHTTSMN1; SMN2
SCHEMBL16689417 0.88 P2RX7 (0.45) SPR
SCHEMBL16689278 0.87 HRH4 (0.36) PIK3CAMTORKDM4ELMNAHTT
SCHEMBL16689416 0.87 P2RX7 (0.33)
SCHEMBL16689401 0.87 POLB (0.41) LMNA
SCHEMBL16689440 0.85 P2RX7 (0.37) SPR
SCHEMBL16689436 0.84 RORC (0.37) RORCKDM4ELMNAHTTSMN1; SMN2
SCHEMBL16689438 0.84 PKM (0.35) RORCHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
US-9447084-B2 Antiparisitic and pesticidal isoxazoline compounds MERIAL, INC. (US) 2016-09-20 US disclosed
US-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 US disclosed
WO-2015066277-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 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-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS ACHE, PRDX1, CHRM1 RORC 3989/4885EGLN1 2283/4885PIK3CA 2248/4885

“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.