SCHEMBL710570

SCHEMBL710570

C(=Cc1ccccc1)C=Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAOB P27338 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
BLM P54132 1/20 0.44
USP2 O75604 2/20 0.43
LMNA P02545 3/20 0.43
MAOA P21397 1/20 0.43
HPGD P15428 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 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
SCHEMBL4928069 0.77 MAOA (0.48) RAB9AMAPTGAAL3MBTL1POLB
SCHEMBL10972894 0.77 MAOA (0.48) RAB9AMAPTGAAL3MBTL1POLB
SCHEMBL14128964 0.74 KDM4E (0.45) NPC1RAB9AMAPTGAAL3MBTL1
SCHEMBL11485136 0.74 MAOA (0.41) RAB9AMAPTGAAL3MBTL1POLB
SCHEMBL7093346 0.73 MAOA (0.44) NPC1RAB9AMAPTGAAL3MBTL1
SCHEMBL2024202 0.72 MAOB (0.56) NPC1RAB9AMAPTGAAPOLB
SCHEMBL14196500 0.72 MAOB (0.56) NPC1RAB9AMAPTGAAPOLB
SCHEMBL1877894 0.72 MAOB (0.56) NPC1RAB9AMAPTGAAPOLB
SCHEMBL11590991 0.72 ALDH1A1 (0.58) NPC1RAB9AMAPTGAAPOLB
SCHEMBL708639 0.71 NPC1 (0.62) NPC1RAB9AMAPTGAAL3MBTL1

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 4723/4885MAPT 3896/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MAPT 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.