SCHEMBL13267170

SCHEMBL13267170

CC(CN(O)C=O)Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.50
▸ MAPK1 P28482 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL13984656 0.91 ACHE (0.47) —
SCHEMBL13266876 0.77 MAPK1 (0.52) HRH3MAPK1MAPTALDH1A1GAA
SCHEMBL13984586 0.75 HIF1A (0.47) HRH3ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL13267211 0.74 KMT2A (0.60) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL24543121 0.71 HRH3 (0.74) HRH3MAPK1MAPTSMN1; SMN2USP2
SCHEMBL26378181 0.69 HRH3 (0.74) HRH3MAPK1MAPTALDH1A1GAA
SCHEMBL14368312 0.69 HRH3 (0.59) HRH3MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL13984527 0.69 ACHE (0.50) MAPK1MAPTALDH1A1GAA
SCHEMBL13266944 0.68 MAPK1 (0.53) HRH3MAPK1MAPTALDH1A1GAA
SCHEMBL13267168 0.68 SMN1; SMN2 (0.53) HRH3MAPK1MAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HRH3 4192/4885MAPK1 2069/4885MAPT 4643/4885

“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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