SCHEMBL4313446

SCHEMBL4313446

COCCCNCCCOc1cc([N+](=O)[O-])c(C=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.66
MAPT P10636 6/20 0.66
KDM4E B2RXH2 5/20 0.66
CYP3A4 P08684 2/20 0.66
ALOX15 P16050 1/20 0.66
PRKDC P78527 1/20 0.66
HSD17B10 Q99714 1/20 0.66
HTT P42858 2/20 0.51
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
CTSB P07858 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL10320082 0.89 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10318263 0.89 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL28629055 0.87 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10320417 0.85 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL14129360 0.85 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL13299047 0.85 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL4317144 0.85 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3332792 0.85 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10318213 0.84 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL5903503 0.84 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 ALDH1A1 1250/4885MAPT 4175/4885KDM4E 1251/4885

“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.