SCHEMBL3364085

SCHEMBL3364085

N#CCCN(CCC#N)C(O)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LCK P06239 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MLYCD O95822 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL4444128 0.74 POLB (0.46) GAAALDH1A1NPC1L3MBTL1POLB
SCHEMBL10459489 0.72 GAA (0.38) GAAALDH1A1NPC1L3MBTL1POLB
SCHEMBL17935722 0.70 ALDH1A1 (0.47) ALDH1A1NPC1L3MBTL1POLBTDP1
SCHEMBL11540032 0.68 ALDH1A1 (0.42) GAAALDH1A1NPC1L3MBTL1KMT2A
SCHEMBL5933411 0.67 MLYCD (0.47) GAAALDH1A1NPC1L3MBTL1POLB
SCHEMBL17935666 0.67 ALDH1A1 (0.44) GAAALDH1A1NPC1L3MBTL1POLB
SCHEMBL11852904 0.67 ALDH1A1 (0.48) ALDH1A1NPC1L3MBTL1POLBTDP1
SCHEMBL17935771 0.67 ALDH1A1 (0.44) GAAALDH1A1NPC1L3MBTL1POLB
SCHEMBL1344184 0.67 ALDH1A1 (0.44) ALDH1A1NPC1L3MBTL1POLBTDP1
SCHEMBL5474902 0.67 ALDH1A1 (0.44) ALDH1A1NPC1L3MBTL1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597421-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2020-03-24 — — US disclosed
EP-2331558-B1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES INC (US) 2018-09-12 — — EP disclosed
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2018-07-05 — — US disclosed
US-9273086-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2016-03-01 — — US disclosed
US-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-11-15 — — US disclosed
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-07-19 — — US disclosed
US-20100076183-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2010-03-25 — — 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 (5 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-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, SNRPB2, RNGTT GAA 3840/4885ALDH1A1 4103/4885NPC1 4418/4885
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, RNGTT, RNMT GAA 2746/4885ALDH1A1 4361/4885NPC1 4093/4885
US-20100076183-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS RNGTT, RNMT, NSUN2 GAA 2729/4885ALDH1A1 2890/4885NPC1 3468/4885
US-10597421-B2 Protected monomer and method of final deprotection for RNA synthesis NSUN2, RNGTT, RNMT GAA 2746/4885ALDH1A1 4361/4885NPC1 4093/4885
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS RNMT, RNGTT, NSUN2 GAA 3346/4885ALDH1A1 3173/4885NPC1 3211/4885

“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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