SCHEMBL5694094

SCHEMBL5694094

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.51
TMIGD3 P0DMS9 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.47
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL5694112 0.87 NPC1 (0.49) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL30536136 0.82 BRD4 (0.63) RAB9ANPC1TP53
SCHEMBL6933558 0.82 BRD4 (0.63) RAB9ANPC1TP53
SCHEMBL5694204 0.79 BRD4 (0.66) XDHTMIGD3HTR2CHTR2BSTAT3
SCHEMBL1970070 0.77 GDA (0.58) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL5694220 0.74 XDH (0.65) XDHTMIGD3HTR2CHTR2BSMN1; SMN2
SCHEMBL5194370 0.73 XDH (0.53) XDHTMIGD3HTR2CHTR2BNPC1
SCHEMBL25921184 0.71 GAA (0.56) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL7148662 0.71 XDH (0.50) XDHTMIGD3HTR2CHTR2BSMN1; SMN2
SCHEMBL6016640 0.71 XDH (0.50) XDHTMIGD3HTR2CHTR2BSMN1; SMN2

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 XDH 998/4885TMIGD3 4662/4885HTR2C 3032/4885

“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.