SCHEMBL3387108

SCHEMBL3387108

Cc1cnc(Cl)c(CCC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
PARP1 P09874 1/20 0.36
IKBKB O14920 1/20 0.35
MTNR1A P48039 1/20 0.35
SLC13A5 Q86YT5 3/20 0.35
SLC13A2 Q13183 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
KDR P35968 2/20 0.34
MPO P05164 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MET P08581 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL22564851 0.76 NOS3 (0.39) SLC13A5SLC13A2SLC13A3NPSR1KDR
SCHEMBL3386579 0.76 HRH4 (0.35) NOS3NOS1NOS2
SCHEMBL4920949 0.74 PDXK (0.46) KDRNOS3NOS1NOS2
SCHEMBL31395900 0.74 PDXK (0.46) KDRNOS3NOS1NOS2
SCHEMBL27371741 0.74 CTRC (0.39) NPSR1POLBHTTNOS3NOS1
SCHEMBL6953184 0.72 NPSR1 (0.46) SLC13A5SLC13A2SLC13A3NPSR1POLB
SCHEMBL3387105 0.72 SETDB1 (0.47) NPSR1POLBKDRP2RX7
SCHEMBL25841888 0.72 PARP1 (0.50) PARP1IKBKBPOLBKDRNOS3
SCHEMBL23500551 0.71 CCR1 (0.34) NPSR1POLBNOS3NOS1NOS2
SCHEMBL30060571 0.69 LMNA (0.42) SLC13A5SLC13A2SLC13A3NOS3NOS1

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 3 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-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

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 PLAU 1618/4885PARP1 1904/4885IKBKB 849/4885

“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.