SCHEMBL711532

SCHEMBL711532

C(=Cc1ccccn1)c1ccc2cscc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ATM Q13315 2/20 0.52
PTGS1 P23219 2/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
IP6K1 Q92551 1/20 0.45
GRM4 Q14833 1/20 0.42
RELA Q04206 1/20 0.41
KDR P35968 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADK P55263 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL714159 0.83 RELA (0.60) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL714160 0.83 RELA (0.60) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL12884279 0.83 NPC1 (0.59) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL30379049 0.83 RELA (0.60) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL710932 0.79 PAX8 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL707667 0.77 NPC1 (0.52) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL16070464 0.77 NPC1 (0.53) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL29419010 0.76 KMT2A (0.80) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL28595722 0.76 KMT2A (0.80) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL14399195 0.76 NQO2 (0.55) NPC1RAB9AKMT2AMEN1ATM

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 4723/4885KMT2A 3382/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885KMT2A 3744/4885

“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.