SCHEMBL323914

SCHEMBL323914

O=C(OCn1ncc2ccccc21)N1C=Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KMO O15229 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
RECQL P46063 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL15544144 0.78 PTGDR2 (0.42) POLBTSHRHSD17B10KMOPTGDR2
SCHEMBL325471 0.76 GAA (0.33) POLBHSD17B10NPC1RAB9AL3MBTL1
SCHEMBL324282 0.76 LMNA (0.38) POLBTSHRRAB9ASMN1; SMN2CYP1A2
SCHEMBL29493251 0.75 HDAC3 (0.41) POLBTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL15056964 0.75 HDAC3 (0.41) POLBTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL325711 0.72 P2RX4 (0.39) PTGDR2NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5721697 0.72 ALDH1A1 (0.41) TSHRSMN1; SMN2HDAC3
SCHEMBL324299 0.72 P2RX4 (0.52) PTGDR2NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL324590 0.71 HDAC3 (0.38) HDAC3
SCHEMBL5691950 0.71 CYP3A4 (0.42) TSHRHSD17B10RAB9ASMN1; SMN2NPSR1

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
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 POLB 3630/4885TSHR 317/4885HSD17B10 1245/4885

“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.