SCHEMBL25061603

SCHEMBL25061603

CCOC(=O)C1(CC)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR174 Q9BXC1 3/20 0.35
▸ VCAM1 P19320 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ GUSB P08236 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ AKR1B1 P15121 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
SCHEMBL25061606 0.88 MAPT (0.35) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL29438157 0.87 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL21635547 0.87 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL25061604 0.84 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL25061602 0.84 SSTR5 (0.33) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL28363043 0.81 MAPT (0.37) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL22714339 0.80 MAPT (0.36) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL29438153 0.80 MAPT (0.36) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL25061610 0.79 SSTR5 (0.31) MAPTSSTR5
SCHEMBL21635540 0.79 ESPL1 (0.37) MAPTMEN1KMT2AALDH1A1NPC1

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 4461/4885MEN1 4688/4885KMT2A 2284/4885

“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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