SCHEMBL2028112

SCHEMBL2028112

O=C(O)c1occc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SRD5A2 P31213 1/20 0.45
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5500056 0.86 ALDH1A1 (0.50) TDP1POLBMAPK1CES1KDM4E
SCHEMBL3983853 0.78 HSD17B10 (0.47) TDP1POLBMAPK1CA1CA2
SCHEMBL27605316 0.78 KMT2A (0.44) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL8138770 0.78 BCL2L1 (0.48) KDM4EGAARAB9AKMT2AALDH1A1
SCHEMBL1549765 0.77 KMT2A (0.46) KMT2ATSHR
SCHEMBL2318665 0.76 SMN1; SMN2 (0.42) TDP1POLBMAPK1SRD5A2KDM4E
SCHEMBL2030709 0.76 AGTR1 (0.44) SRD5A2KDM4ERAB9ATSHRALDH1A1
SCHEMBL137803 0.76 AGTR1 (0.42) TDP1POLBMAPK1KDM4EGAA
SCHEMBL27605308 0.76 PTPN1 (0.41) POLBMAPK1CES1CES2KDM4E
SCHEMBL5950165 0.74 TDP1 (0.49) TDP1POLBMAPK1SRD5A2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 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 (2 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA TDP1 269/4885POLB 5/4885MAPK1 4039/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 TDP1 233/4885POLB 5/4885MAPK1 3831/4885

“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.