SCHEMBL15544144

SCHEMBL15544144

O=C(OCn1ncc2ccccc21)N1C=Cc2ncsc2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
POLB P06746 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KMO O15229 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CXCR3 P49682 1/20 0.35
RECQL P46063 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP1A2 P05177 1/20 0.32
CFD P00746 1/20 0.31

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
SCHEMBL323914 0.78 POLB (0.43) PTGDR2POLBTSHRHSD17B10KMO
SCHEMBL15543943 0.76 P2RX4 (0.40) PTGDR2HSD17B10NPC1RAB9AL3MBTL1
SCHEMBL15545243 0.75 P2RX4 (0.39) PTGDR2TSHRHSD17B10NPC1RAB9A
SCHEMBL15544142 0.74 PTGDR2 (0.42) PTGDR2POLBTSHRHSD17B10KMO
SCHEMBL15544581 0.74 GRIN2B (0.41) PTGDR2POLBTSHRNPC1RAB9A
SCHEMBL15545165 0.73 CASP3 (0.40) PTGDR2POLBNPC1RAB9AL3MBTL1
SCHEMBL15544060 0.72 HTT (0.36) PTGDR2TSHRHSD17B10NPC1RAB9A
SCHEMBL15545036 0.70 PTGDR2 (0.39) PTGDR2POLBNPC1RAB9AL3MBTL1
SCHEMBL15546005 0.70 PTGDR2 (0.41) PTGDR2
SCHEMBL15544556 0.70 PTGDR2 (0.35) PTGDR2

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-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 PTGDR2 3/4885POLB 3500/4885TSHR 316/4885

“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.