SCHEMBL323465

SCHEMBL323465

Cn1cncc1COC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.36
HDAC3 O15379 1/20 0.35
HSD17B3 P37058 1/20 0.35
MAPK1 P28482 1/20 0.33
P2RX4 Q99571 1/20 0.31
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
PGGT1B P53609 3/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL325482 0.81 PTGDR2 (0.37) HDAC3HSD17B3P2RX4PRMT5WDR77
SCHEMBL325711 0.79 P2RX4 (0.39) HDAC3MAPK1P2RX4HTR2AHTR2C
SCHEMBL324898 0.79 PTGDR2 (0.39) HDAC3HSD17B3P2RX4HTR2AHTR2C
SCHEMBL15056964 0.78 HDAC3 (0.41) HDAC3HSD17B3MAPK1
SCHEMBL29493251 0.78 HDAC3 (0.41) HDAC3HSD17B3MAPK1
SCHEMBL324299 0.77 P2RX4 (0.52) MAPK1P2RX4HTR2AHTR2CHTR2B
SCHEMBL323970 0.77 SMN1; SMN2 (0.34) HDAC3P2RX4HTR2AHTR2CHTR2B
SCHEMBL325045 0.76 NAMPT (0.38) HDAC3HSD17B3P2RX4PRMT5WDR77
SCHEMBL324696 0.76 PTGDR2 (0.36) HDAC3
SCHEMBL324346 0.76 P2RX4 (0.47) P2RX4HTR2CTMEM97SIGMAR1

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-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 XIAP 3496/4885HDAC3 2109/4885HSD17B3 967/4885

“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.