SCHEMBL15544142

SCHEMBL15544142

O=C(OCn1ncc2ccccc21)N1C=c2scnc2=CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

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
CXCR3 P49682 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
RECQL P46063 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 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
SCHEMBL15545281 0.76 NPC1 (0.41) POLBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL15544144 0.74 PTGDR2 (0.42) PTGDR2POLBTSHRHSD17B10KMO
SCHEMBL15543711 0.69 GRIN2B (0.43) PTGDR2RAB9ACYP1A2
SCHEMBL323914 0.68 POLB (0.43) PTGDR2POLBTSHRHSD17B10KMO
SCHEMBL15544141 0.66 POLB (0.40) PTGDR2POLBTSHRHSD17B10KMO
SCHEMBL4847844 0.62 KMO (0.48) POLBTSHRHSD17B10KMONPC1
SCHEMBL27997340 0.61 CYP1A2 (0.55) POLBTSHRHSD17B10KMOL3MBTL1
SCHEMBL4836491 0.60 KMO (0.46) POLBTSHRHSD17B10KMONPC1
SCHEMBL29520989 0.60 RECQL (0.56) POLBTSHRHSD17B10KMONPC1
SCHEMBL323712 0.59 RECQL (0.51) POLBTSHRHSD17B10KMONPC1

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.