SCHEMBL2031645

SCHEMBL2031645

NC(=O)c1ccc(-c2ccc(N)cc2)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HPGD P15428 4/20 0.71
KDM4E B2RXH2 2/20 0.71
LMNA P02545 2/20 0.71
HSD17B10 Q99714 2/20 0.71
PRNP P04156 1/20 0.71
SLC9A1 P19634 6/20 0.49
NQO2 P16083 3/20 0.42
POLB P06746 1/20 0.42
TOP1 P11387 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
PRMT1 Q99873 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL3418331 0.85 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL12885825 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL15218337 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL7118702 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL11813532 0.83 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL4163540 0.82 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL12869444 0.82 ALDH1A1 (0.63) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL4943703 0.81 SLC9A1 (0.75) SLC9A1
Hydrochloric Acid SCHEMBL10465430 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL1143497 0.80 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ELMNAHSD17B10

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 ALDH1A1 2642/4885HPGD 3960/4885KDM4E 3541/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 ALDH1A1 2474/4885HPGD 4013/4885KDM4E 3490/4885

“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.