SCHEMBL708312

SCHEMBL708312

C(C=Cc1ccccn1)=Cc1ccc2sccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 2/20 0.42
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
IP6K1 Q92551 1/20 0.36
GRM4 Q14833 1/20 0.36
DYRK1A Q13627 1/20 0.35
SNCA P37840 1/20 0.34
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL708311 1.00 CYP2A6 (0.47) CYP2A6CTNNB1WNT3ANPC1RAB9A
SCHEMBL711531 0.91 CYP2A6 (0.50) CYP2A6CTNNB1WNT3ANPC1RAB9A
SCHEMBL715859 0.79 RELA (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL715858 0.79 RELA (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710535 0.77 ALDH1A1 (0.42) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710534 0.77 ALDH1A1 (0.42) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9111666 0.77 CYP2A6 (0.58) CYP2A6CTNNB1WNT3ANPC1RAB9A
SCHEMBL9432076 0.76 CYP2A6 (0.70) CYP2A6CTNNB1WNT3ANPC1RAB9A
SCHEMBL709276 0.75 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL709275 0.75 NPC1 (0.59) 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 CYP2A6 213/4885CTNNB1 1126/4885WNT3A 1179/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 CYP2A6 173/4885CTNNB1 1016/4885WNT3A 1188/4885

“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.