SCHEMBL5694112

SCHEMBL5694112

O=C(COc1ccccc1)Nc1nc(F)nc2nc[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX12 P18054 1/20 0.49
GAA P10253 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALPL P05186 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL5694094 0.87 XDH (0.51) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL30536136 0.83 BRD4 (0.63) NPC1RAB9ATP53MAPTALPL
SCHEMBL6933558 0.83 BRD4 (0.63) NPC1RAB9ATP53MAPTALPL
SCHEMBL1970070 0.78 GDA (0.58) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL5694222 0.74 GDA (0.55) NPC1RAB9A
SCHEMBL16146541 0.72 TNNI3K (0.62) ADORA3ADORA2A
SCHEMBL25921184 0.72 GAA (0.56) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6933552 0.72 ALPL (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL16648595 0.70 SYK (0.50) NPC1ALDH1A1ADORA3ADORA2AMAPT
SCHEMBL7670286 0.70 TNNI3K (0.46) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB NPC1 2171/4885RAB9A 3223/4885SMN1; SMN2 1507/4885

“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.