SCHEMBL3386732

SCHEMBL3386732

CCOC(=O)Cc1ccc(OC)c(-c2cc3ccccc3nc2CNCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
APP P05067 1/20 0.39
NOD2 Q9HC29 1/20 0.39
PIK3CD O00329 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3385813 0.93 PKM (0.41) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3388889 0.85 PTGDR2 (0.42) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3422373 0.85 PTGDR2 (0.37) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3389225 0.83 PTGDR2 (0.42) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3389809 0.81 PTGDR2 (0.46) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3388903 0.80 PTGDR2 (0.53) MEN1KMT2APTGDR2ALDH1A1
SCHEMBL3386400 0.80 PTGDR2 (0.44) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3384276 0.79 PTGDR2 (0.43) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3390068 0.79 PKM (0.40) SMN1; SMN2L3MBTL1NPC1PKMNFKB1
SCHEMBL3422370 0.77 PTGDR2 (0.44) SMN1; SMN2L3MBTL1NPC1PKMNFKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO 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 (1 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-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SMN1; SMN2 4740/4885L3MBTL1 3778/4885NPC1 2042/4885

“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.