SCHEMBL14025500

SCHEMBL14025500

CCCCCCCCOCCCc1c(CCC)nc2ncnn2c1N

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 19/20 0.42
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3133514 0.92 MBOAT4 (0.43) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL303749 0.90 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3130141 0.90 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3133063 0.90 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL5402153 0.90 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL10623174 0.88 MBOAT4 (0.48) MBOAT4
SCHEMBL3871870 0.85 GAA (0.42) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3876315 0.85 GAA (0.42) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL4921904 0.85 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3132086 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2

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-20080262000-A1 5-Alkoxyalkyl-6-alkyl-7-Aminoazolopyrimidines, Process for Their Preparation, Their Use for Controlling Harmful Fungi, and Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-10-23 — — US disclosed
US-20080262000-A1 5-Alkoxyalkyl-6-alkyl-7-Aminoazolopyrimidines, Process for Their Preparation, Their Use for Controlling Harmful Fungi, and Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-10-23 — — US disclosed
EP-1853608-B1 5-ALKOXYALKYL-6-ALKYL-7-AMINO-AZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF SE (DE) 2008-07-09 — — EP 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-20080262000-A1 5-Alkoxyalkyl-6-alkyl-7-Aminoazolopyrimidines, Process for Their Preparation, Their Use for Controlling Harmful Fungi, and Compositions Comprising Them NT5C3B, RNGTT, CBR3 MBOAT4 4594/4885GAA 2800/4885HTT 2641/4885

“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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