SCHEMBL2284109

SCHEMBL2284109

O=C(NCCC#Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ALB P02768 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9368222 0.95 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL9368232 0.95 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL9372482 0.93 LMNA (0.35) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL9372470 0.93 LMNA (0.35) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL8476369 0.91 LMNA (0.38) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL8476367 0.91 LMNA (0.38) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL24922883 0.89 LMNA (0.34) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL13366957 0.82 TK1 (0.43) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1
SCHEMBL15740170 0.81 LMNA (0.43) LMNASMN1; SMN2ALDH1A1ALBMAPK1
SCHEMBL2619409 0.80 LMNA (0.41) LMNASMN1; SMN2ALOX12ADRA1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods Life Technologies Corporation (US) 2012-12-06 US disclosed
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS Life Technologies Corporation (US) 2010-05-06 US disclosed
US-20050214843-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-09-29 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 (3 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-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 LMNA 323/4885SMN1; SMN2 1906/4885ALOX12 3311/4885
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT LMNA 314/4885SMN1; SMN2 1528/4885ALOX12 3180/4885
US-20050214843-A1 Pyrimidine nucleobases DPYD, PNP, UMPS LMNA 1016/4885SMN1; SMN2 2111/4885ALOX12 3378/4885

“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.