SCHEMBL12296100

SCHEMBL12296100

Nc1ncnn2c(C3(O)CC[C@@H](COC(=O)c4ccccc4)O3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RIPK1 Q13546 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA5 P30532 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TNK2 Q07912 1/20 0.34

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
SCHEMBL12294892 0.83 TNK2 (0.35) LMNATNK2
SCHEMBL18667233 0.83 TNK2 (0.35) LMNATNK2
SCHEMBL10187389 0.81 NPC1 (0.39) NPC1RIPK1MEN1CYP1A2CYP2C19
SCHEMBL12243226 0.79 NPC1 (0.37) NPC1RIPK1KMT2APOLBTNK2
SCHEMBL25598934 0.79 PIK3CD (0.31) —
SCHEMBL10142092 0.79 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL4974309 0.79 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL24606380 0.77 NPC1 (0.38) NPC1RIPK1MEN1CYP1A2CYP2C19
SCHEMBL25608469 0.76 MGLL (0.39) RIPK1TNK2
SCHEMBL24606289 0.76 TMPRSS2 (0.49) RIPK1POLBGAAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — 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-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, CDA NPC1 1101/4885RIPK1 2062/4885MEN1 2185/4885

“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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