SCHEMBL21447902

SCHEMBL21447902

CC(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CNR2 P34972 7/20 0.50
▸ SMO Q99835 1/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48

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
SCHEMBL17221699 0.87 ALDH1A1 (0.54) OGAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1911473 0.87 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL23266880 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL21202542 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL18714256 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL27513740 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL21003722 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL22792340 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL19867709 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL14217497 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 — — US disclosed
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 — — 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 (2 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-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 OGA 4483/4885ALDH1A1 3183/4885HSD17B10 4571/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 OGA 4483/4885ALDH1A1 3183/4885HSD17B10 4571/4885

“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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