SCHEMBL25061728

SCHEMBL25061728

CCOC(=O)C1(C(F)(F)F)CC(c2cc(N)c(F)cc2Cl)=NO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ SSTR5 P35346 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CA2 P00918 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ F10 P00742 2/20 0.30
▸ F2 P00734 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
SCHEMBL22714381 0.89 CA1 (0.37) HPGDCA2CA1F10F2
SCHEMBL30899572 0.89 CA1 (0.37) HPGDCA2CA1F10F2
SCHEMBL29769188 0.85 CA1 (0.39) SMN1; SMN2SSTR5NPC1RAB9ACYP1A2
SCHEMBL21635542 0.85 CA1 (0.39) SMN1; SMN2SSTR5NPC1RAB9ACYP1A2
SCHEMBL23246113 0.85 CA1 (0.39) SMN1; SMN2SSTR5NPC1RAB9ACYP1A2
SCHEMBL30728606 0.85 CA1 (0.39) SMN1; SMN2SSTR5NPC1RAB9ACYP1A2
SCHEMBL29769216 0.85 CA1 (0.39) SMN1; SMN2SSTR5NPC1RAB9ACYP1A2
SCHEMBL25061602 0.84 SSTR5 (0.33) SMN1; SMN2SSTR5CYP1A2CYP2C9CYP2C19
SCHEMBL25061605 0.81 SSTR5 (0.32) SSTR5MEN1KMT2ANOS2
SCHEMBL25061729 0.79 MAPT (0.34) SMN1; SMN2SSTR5NPC1RAB9ACYP1A2

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 SMN1; SMN2 4858/4885SSTR5 1062/4885NPC1 4060/4885

“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