SCHEMBL712236

SCHEMBL712236

C(=C/c1ccccn1)\c1ccc2scnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
IP6K1 Q92551 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.43
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
ESR1 P03372 2/20 0.40
KDR P35968 1/20 0.38
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL712237 1.00 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710534 0.91 ALDH1A1 (0.42) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710535 0.91 ALDH1A1 (0.42) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8039453 0.84 ALDH1A1 (0.50) MEN1KMT2AIP6K1ALDH1A1HSD17B10
SCHEMBL8039455 0.84 ALDH1A1 (0.50) MEN1KMT2AIP6K1ALDH1A1HSD17B10
SCHEMBL1850866 0.76 NFE2L2 (0.44) NPC1RAB9AIP6K1ALDH1A1HSD17B10
SCHEMBL1850868 0.76 NFE2L2 (0.44) NPC1RAB9AIP6K1ALDH1A1HSD17B10
SCHEMBL711531 0.76 CYP2A6 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710823 0.76 NPC1 (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710824 0.76 NPC1 (0.57) 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.