SCHEMBL6292714

SCHEMBL6292714

COc1ccc(OC)c(/C=C/C(=O)c2ccccn2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ PKM P14618 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ KRAS P01116 1/20 0.62
▸ PDE4A P27815 1/20 0.61
▸ PDE4B Q07343 1/20 0.61
▸ PDE4C Q08493 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ JUN P05412 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ATM Q13315 1/20 0.57

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
SCHEMBL6292715 1.00 RAB9A (0.67) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL6295704 0.90 MAPT (0.70) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL6295709 0.90 MAPT (0.70) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL6292944 0.85 NPC1 (0.67) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL6292941 0.85 NPC1 (0.67) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL7180833 0.83 ABCG2 (0.86) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL7180829 0.83 ABCG2 (0.86) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL4804208 0.80 MAPT (1.00) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL4804215 0.80 MAPT (1.00) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL29870513 0.80 MAPT (1.00) RAB9AMAPTKDM4ENPC1ALDH1A1

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-6846817-B2 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-01-25 — — US disclosed
US-20030027810-A1 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-02-06 — — 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-20030027810-A1 Nicotine receptor ligands CHRNA1, CHRNB1, CHRNA9 RAB9A 1075/4885MAPT 3732/4885KDM4E 2543/4885

“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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