SCHEMBL17477185

SCHEMBL17477185

O=[N+]([O-])c1ccc(O)nc1.O=[N+]([O-])c1cnc(O)c([N+](=O)[O-])c1.Oc1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GPR35 Q9HC97 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 3/20 0.40
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2178791 0.82 ALDH1A1 (0.50) MEN1KMT2AALOX12ALDH1A1GPR35
SCHEMBL30557784 0.82 ALDH1A1 (0.50) MEN1KMT2AALOX12ALDH1A1GPR35
SCHEMBL29001447 0.81 TDP1 (0.49) MEN1KMT2AALOX12ALDH1A1GPR35
SCHEMBL30350882 0.81 TDP1 (0.49) MEN1KMT2AALOX12ALDH1A1GPR35
SCHEMBL17477195 0.80 POLB (0.41) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL845293 0.77 TDP1 (0.41) MEN1KMT2AALDH1A1GPR35MAPK1
SCHEMBL202616 0.77 ADRA2A (0.55) HSPB1MEN1KMT2AALOX12ALDH1A1
Hydrochloric Acid SCHEMBL28280779 0.75 ADRA2A (0.56) HSPB1MEN1KMT2AALOX12ALDH1A1
SCHEMBL14659678 0.72 ALDH1A1 (0.44) HSPB1MEN1KMT2AALOX12ALDH1A1
SCHEMBL457895 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2017-08-03 US disclosed
EP-3174888-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE Lupin Limited (IN) 2017-06-07 EP disclosed
WO-2016016865-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2016-02-04 WO 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-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE SAMHD1, PNP, MTAP HSPB1 4271/4885MEN1 4174/4885KMT2A 2963/4885

“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.