SCHEMBL2493985

SCHEMBL2493985

O=C(CCCCCNC(=O)C(F)(F)F)NCC#Cc1cc([N+](=O)[O-])n([C@H]2C[C@H](O)[C@@H](CO)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
ADRA1A P35348 1/20 0.34
TK2 O00142 2/20 0.32
SLC29A1 Q99808 1/20 0.31
DNMT1 P26358 1/20 0.31
TK1 P04183 1/20 0.31

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
SCHEMBL16085973 0.90 LMNA (0.39) P2RY6LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL2495776 0.89 P2RY6 (0.38) P2RY6TK2
SCHEMBL16085892 0.89 SMN1; SMN2 (0.37) LMNASMN1; SMN2ALOX12ADRA1ATK2
SCHEMBL3205335 0.76 CYP1A2 (0.31)
SCHEMBL14979297 0.75 TYMS (0.36)
SCHEMBL16104239 0.75 TYMS (0.36)
SCHEMBL2498542 0.75 TK1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK2
SCHEMBL18643292 0.74 TYMS (0.35)
SCHEMBL18643293 0.74 TYMS (0.35)
SCHEMBL16681938 0.74 TYMS (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT P2RY6 1467/4885LMNA 3624/4885SMN1; SMN2 3529/4885

“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.