SCHEMBL2991173

SCHEMBL2991173

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DNPH1 O43598 1/20 0.49
ADORA3 P0DMS8 9/20 0.49
SLC29A1 Q99808 2/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
CDK1 P06493 1/20 0.46
NT5E P21589 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL12856900 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2DNPH1ADORA3
SCHEMBL12856879 0.92 SLC29A1 (0.48) NPC1RAB9ASMN1; SMN2DNPH1ADORA3
SCHEMBL9913214 0.92 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DNPH1ADORA3
SCHEMBL13239718 0.86 ABL1 (0.43) SLC29A1
SCHEMBL12570160 0.86 SLC29A1 (0.48) ADORA3SLC29A1NT5ETSHR
SCHEMBL30197028 0.85 P2RY12 (0.43)
SCHEMBL22589997 0.84 P2RY1 (0.45) ADORA3
SCHEMBL9913216 0.84 SLC29A1 (0.49) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL2979765 0.83 ADORA3 (0.56) DNPH1ADORA3SLC29A1TP53TDP1
SCHEMBL1140779 0.81 HIF1A (0.42)

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-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 US disclosed
US-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES LAKSHMAN MAHESH K 2010-07-15 US 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-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES PNP, NUDT1, NUDT14 NPC1 646/4885RAB9A 1292/4885SMN1; SMN2 595/4885

“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.