SCHEMBL710359

SCHEMBL710359

N#CC(=CC=Cc1ccccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.53
▸ NPC1 O15118 7/20 0.51
▸ MAPT P10636 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ ATM Q13315 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ IGF2R P11717 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL4825046 0.78 MCL1 (0.54) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL2681040 0.78 MCL1 (0.54) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL707775 0.76 TDP1 (0.51) RAB9ANPC1MAPTKDM4ETDP1
SCHEMBL707776 0.76 TDP1 (0.51) RAB9ANPC1MAPTKDM4ETDP1
SCHEMBL707154 0.74 RAB9A (0.68) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL721182 0.71 MEN1 (0.79) RAB9ANPC1KDM4ETDP1MEN1
SCHEMBL721181 0.71 MEN1 (0.79) RAB9ANPC1KDM4ETDP1MEN1
SCHEMBL7849047 0.70 RAB9A (0.61) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL7849048 0.70 RAB9A (0.61) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL708571 0.69 MEN1 (0.75) RAB9ANPC1KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 — — US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 — — US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 — — US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 — — 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB RAB9A 4723/4885NPC1 19/4885MAPT 3896/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 RAB9A 4606/4885NPC1 48/4885MAPT 3909/4885

“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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