SCHEMBL710826

SCHEMBL710826

C(=CC=Cc1ccccn1)C=Cc1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
SNCA P37840 1/20 0.45
MAOB P27338 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GRM4 Q14833 1/20 0.41
NR4A1 P22736 1/20 0.40
MAOA P21397 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHEK1 O14757 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 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
SCHEMBL710825 1.00 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708191 0.98 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708190 0.98 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL711404 0.88 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL711403 0.88 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708639 0.86 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL713666 0.86 NPC1 (0.70) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708638 0.86 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL713665 0.86 NPC1 (0.70) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708570 0.85 MEN1 (0.75) NPC1RAB9AMEN1KMT2AATM

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 4723/4885MEN1 3997/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MEN1 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.