SCHEMBL8274382

SCHEMBL8274382

CO/N=C\c1cccc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.47
CHRM5 P08912 1/20 0.41
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KIF11 P52732 1/20 0.36
HIF1A Q16665 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
SCHEMBL8274396 0.81 SMN1; SMN2 (0.39) SRCCHRM5HDAC4HDAC2HDAC8
SCHEMBL13915486 0.81 SMN1; SMN2 (0.39) SRCCHRM5HDAC4HDAC2HDAC8
SCHEMBL18767289 0.79 HDAC4 (0.40) CHRM5HDAC4HDAC2HDAC8LMNA
SCHEMBL20307416 0.78 CHRM5 (0.38) CHRM5HDAC4HDAC2HDAC8LMNA
SCHEMBL23752854 0.78 HDAC4 (0.39) CHRM5HDAC4HDAC2HDAC8LMNA
SCHEMBL14088919 0.78 MAPT (0.51) HDAC4HDAC2HDAC8LMNANPC1
SCHEMBL29942690 0.78 HDAC4 (0.39) CHRM5HDAC4HDAC2HDAC8LMNA
SCHEMBL23752855 0.78 HDAC4 (0.39) CHRM5HDAC4HDAC2HDAC8LMNA
SCHEMBL8274381 0.78 MAPT (0.51) HDAC4HDAC2HDAC8LMNANPC1
SCHEMBL12203095 0.77 GRIN2D (0.50) SRCLMNAKMT2ARAB9ARECQL

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 SRC 521/4885CHRM5 998/4885HDAC4 3411/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 SRC 661/4885CHRM5 992/4885HDAC4 3659/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R SRC 521/4885CHRM5 998/4885HDAC4 3411/4885

“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.