SCHEMBL18101271

SCHEMBL18101271

O=C1N=NC(=O)N1c1ccc2c(c1)OCCOCCOCCO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL18101266 1.00 CMA1 (0.51) CMA1KDM4EMAPTLMNAHTT
SCHEMBL18101221 1.00 CMA1 (0.51) CMA1KDM4EMAPTLMNAHTT
SCHEMBL18101274 1.00 CMA1 (0.51) CMA1KDM4EMAPTLMNAHTT
SCHEMBL13820085 0.95 CMA1 (0.56) CMA1KDM4EMAPTALDH1A1GAA
SCHEMBL29510602 0.76 CMA1 (0.58) CMA1KDM4EMAPTALDH1A1GAA
SCHEMBL28752534 0.76 CMA1 (0.58) CMA1KDM4EMAPTALDH1A1GAA
SCHEMBL21389665 0.76 ALDH1A1 (0.35) CMA1KDM4EMAPTALDH1A1GAA
SCHEMBL21389656 0.76 KDM4E (0.43) KDM4EMAPTLMNAHTTBLM
SCHEMBL15981859 0.73 DRD2 (0.52) KDM4EMAPTLMNAHTTBLM
SCHEMBL15981860 0.73 DRD2 (0.52) KDM4EMAPTLMNAHTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits TECAN SP, INC. (US) 2019-09-26 — — US disclosed
US-20160282371-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits QUANTALYTICAL LABS INC. (US) 2016-09-29 — — US disclosed
US-20160282371-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits QUANTALYTICAL LABS INC. (US) 2016-09-29 — — 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-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits CYP2C8, CES2, UGT1A8 CMA1 2111/4885KDM4E 152/4885MAPT 2114/4885

“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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