SCHEMBL7129044

SCHEMBL7129044

FC(F)C(F)Oc1ccc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
GABRA5 P31644 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
GBA1 P04062 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FDPS P14324 1/20 0.31

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
SCHEMBL738390 0.84 DAO (0.39) KDM4EALDH1A1THRBGABRA5ADRA2A
SCHEMBL29482231 0.84 DAO (0.39) KDM4EALDH1A1THRBGABRA5ADRA2A
SCHEMBL23414291 0.81 ALDH1A1 (0.34) KDM4EALDH1A1THRBGABRA5ADRA2A
SCHEMBL23414169 0.78 GBA1 (0.38) KDM4EGABRA5GBA1RAB9A
SCHEMBL28979578 0.77 KDM4E (0.47) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL735634 0.76 ALDH1A1 (0.49) KDM4EALDH1A1GABRA5GBA1
SCHEMBL29127598 0.74
SCHEMBL2185802 0.74 RXRA (0.32)
SCHEMBL4763804 0.73 ALDH1A1 (0.36) KDM4EALDH1A1GABRA5ADRA2AADRA2B
SCHEMBL1928996 0.73 KDM4E (0.38) KDM4EALDH1A1THRBGABRA5ADRA2A

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
CN-117756800-A Ion channel modulators 普拉克西斯精密药物股份有限公司 2024-03-26 CN disclosed
US-6670307-B2 Such as 2-(2,6-difluorophenyl)-4-(4-(2-ethoxypyridin-5-yl) phenyl)oxazoline; for administration to livestock HOECHST SCHERING AGREVO GMBH (DE) 2003-12-30 US disclosed
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides BAYER CROPSCIENCE AG (DE) 2002-06-06 US disclosed
US-6265350-B1 CONTROLLING HARMFUL FUNGI, INSECTS, ACARINA, MOLLUSKS AND NEMATODES HOECHST SCHERING AGREVO GMBH (DE) 2001-07-24 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-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides MT-CO1, OXA1L, MT-CO3 KDM4E 2409/4885ALDH1A1 127/4885THRB 363/4885

“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.