SCHEMBL25719089

SCHEMBL25719089

O=C(CN[AlH2])NCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA4 P22748 6/20 0.58
▸ CA9 Q16790 6/20 0.58
▸ CA1 P00915 4/20 0.58
▸ CA2 P00918 4/20 0.58
▸ PTGS2 P35354 3/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL25719081 0.96 CA12 (0.58) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL25719062 0.94 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL21401050 0.88 CA12 (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL25718991 0.85 TTR (0.68) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL22859850 0.85 CA12 (0.53) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL21400979 0.84 CA12 (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL25720672 0.83 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL25719033 0.82 TTR (0.68) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL22859745 0.81 CA12 (0.53) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL10116869 0.81 TTR (0.70) TTRCYP2C9USP2LMNATBXA2R

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-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-06-22 — — 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-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND ALG1, ALG8, ALG3 TTR 4779/4885CYP2C9 3313/4885USP2 4101/4885

“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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