SCHEMBL25061729

SCHEMBL25061729

C=C(Nc1cc(C2=NOC(C(=O)OCC)(C(F)(F)F)C2)c(Cl)cc1F)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ITGB1 P05556 2/20 0.32
▸ ITGA4 P13612 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 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
SCHEMBL25061617 0.91 MAPT (0.33) MAPTHTTSMN1; SMN2NPC1CYP1A2
SCHEMBL23644650 0.81 CA1 (0.41) NPC1RAB9AITGB1ITGA4KDM4E
SCHEMBL25061728 0.79 SMN1; SMN2 (0.34) SMN1; SMN2NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL25061724 0.76 F10 (0.33) NPC1RAB9AITGB1ITGA4F2
SCHEMBL25368380 0.73 CA1 (0.39) MAPTSMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL25061770 0.72 F10 (0.33) MAPTITGB1ITGA4F2F10
SCHEMBL30370542 0.71 CA1 (0.39) MAPTHTTSMN1; SMN2NPC1CYP1A2
SCHEMBL25061618 0.70 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL22714381 0.70 CA1 (0.37) ITGB1ITGA4CA1CA2F2
SCHEMBL30899572 0.70 CA1 (0.37) ITGB1ITGA4CA1CA2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 — — 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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 MAPT 4461/4885HTT 3448/4885SMN1; SMN2 4858/4885

“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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