SCHEMBL13239703

SCHEMBL13239703

CC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)CC1C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ADORA3 P0DMS8 9/20 0.56
▸ SLC29A1 Q99808 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CDK1 P06493 2/20 0.54
▸ TSHR P16473 1/20 0.53
▸ TMIGD3 P0DMS9 1/20 0.53
▸ ADORA2A P29274 1/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ DNPH1 O43598 1/20 0.52
▸ CCNB2 O95067 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CCNB3 Q8WWL7 1/20 0.51

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
SCHEMBL9913214 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL11986896 0.83 ADORA3 (0.56) ADORA3ADORA2AADORA1
SCHEMBL20266312 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL2288114 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL14873532 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL23982135 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL27183207 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL23982158 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL21011278 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1
SCHEMBL2288108 0.82 SLC29A1 (0.76) NPC1RAB9ASMN1; SMN2ADORA3SLC29A1

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.

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