SCHEMBL709663

SCHEMBL709663

C(/C=C/c1ccc2ccccc2n1)=C\c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.56
▸ RAB9A P51151 8/20 0.56
▸ LMNA P02545 6/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ PKM P14618 2/20 0.56
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PAX8 Q06710 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ECE2 P0DPD6 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL709664 1.00 NPC1 (0.56) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL30494395 0.93 RAB9A (0.65) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL22501436 0.93 RAB9A (0.65) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL3534947 0.81 RAB9A (0.59) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL29839704 0.81 RAB9A (0.59) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL372118 0.81 RAB9A (0.59) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL28443608 0.80 RAB9A (0.80) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL721182 0.80 MEN1 (0.79) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL721181 0.80 MEN1 (0.79) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL714135 0.80 RAB9A (0.79) NPC1RAB9ALMNAKDM4EPKM

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 NPC1 19/4885RAB9A 4723/4885LMNA 1441/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885LMNA 1476/4885

“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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