SCHEMBL710558

SCHEMBL710558

Cc1ccccc1/C=C/C=C/c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CDK4 P11802 1/20 0.40

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
SCHEMBL710559 1.00 RAB9A (0.54) RAB9ANPC1MEN1KMT2AATM
SCHEMBL29000602 0.89 RAB9A (0.64) RAB9ANPC1MEN1KMT2AATM
SCHEMBL712382 0.83 GAA (0.50) RAB9ANPC1MEN1KMT2AATM
SCHEMBL712381 0.83 GAA (0.50) RAB9ANPC1MEN1KMT2AATM
SCHEMBL23457969 0.82 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2APTGS2
SCHEMBL23457968 0.82 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2APTGS2
SCHEMBL23458040 0.82 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2APTGS2
SCHEMBL721182 0.82 MEN1 (0.79) RAB9ANPC1MEN1KMT2AATM
SCHEMBL1976903 0.82 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2APTGS2
SCHEMBL23458039 0.82 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2APTGS2

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 19/4885MEN1 3997/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 RAB9A 4606/4885NPC1 48/4885MEN1 3163/4885

“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.