SCHEMBL7105437

SCHEMBL7105437

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](C(O)C3=NN=C3)O2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TK1 P04183 4/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PYGM P11217 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL7105434 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL9223679 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL5052899 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3066357 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3087369 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3085890 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3080556 0.76 TK1 (0.46) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3076874 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL10388601 0.75 TK1 (0.41) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3084357 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1POLBKMT2ATK1

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-20030207824-A1 Pyrimidine derivatives for labeled binding partners MATTEUCCI MARK D (US) 2003-11-06 US disclosed
US-6617437-B1 Modified oligonucleotide of given formula; useful in diagnostics and therapeutics ISIS PHARMACEUTICALS, INC. 2003-09-09 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-20030207824-A1 Pyrimidine derivatives for labeled binding partners HNRNPH3, NSUN2, HNRNPH1 SMN1; SMN2 1543/4885ALDH1A1 2764/4885POLB 80/4885

“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.