SCHEMBL8449043

SCHEMBL8449043

CCc1cccc(C(C)=NOC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.43
PPARA Q07869 9/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL8469074 0.85 PPARG (0.51) PPARGPPARANPC1RAB9ACYP4F2
SCHEMBL14114075 0.80 KDM4E (0.45) LOXL2NPC1RAB9ALMNAHTT
SCHEMBL7879528 0.80 KDM4E (0.45) LOXL2NPC1RAB9ALMNAHTT
SCHEMBL6815084 0.79 NPC1 (0.50) NPC1RAB9AL3MBTL1
SCHEMBL6815081 0.79 NPC1 (0.50) NPC1RAB9AL3MBTL1
SCHEMBL18645024 0.78 ALDH1A1 (0.45) NPC1RAB9ALMNAMAPK1HTT
SCHEMBL4622955 0.77 TSHR (0.49) LOXL2NPC1RAB9ACYP4F2CYP4A11
SCHEMBL4622952 0.77 TSHR (0.49) LOXL2NPC1RAB9ACYP4F2CYP4A11
SCHEMBL6811343 0.77 NPC1 (0.46) NPC1RAB9AHIF1AHTT
SCHEMBL6811346 0.77 NPC1 (0.46) NPC1RAB9AHIF1AHTT

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-20090076088-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-19 US disclosed
US-20090069383-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-12 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 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 (3 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-20090076088-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R PPARG 312/4885PPARA 274/4885LOXL2 1424/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 PPARG 434/4885PPARA 397/4885LOXL2 1469/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R PPARG 312/4885PPARA 274/4885LOXL2 1424/4885

“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.