SCHEMBL4317372

SCHEMBL4317372

COc1cc(C=O)c([N+](=O)[O-])cc1OCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
PRKDC P78527 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CHEK1 O14757 2/20 0.49
TSHR P16473 2/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL6508978 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL4321227 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL10318577 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL27958219 0.90 CYP2D6 (0.66) ALDH1A1KDM4ECYP2D6CYP1A2CYP2C19
SCHEMBL6508955 0.88 CYP2D6 (0.53) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL13318973 0.88 CYP2D6 (0.53) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL6508961 0.88 CYP2D6 (0.53) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL361838 0.85 CYP2D6 (0.55) ALDH1A1KDM4ECYP2D6CYP1A2CYP2C19
SCHEMBL13388207 0.82 CYP2D6 (0.56) ALDH1A1KDM4ECYP2D6CYP1A2CYP2C19
SCHEMBL361837 0.82 KDM4E (0.58) ALDH1A1KDM4EMAPTCYP2D6CYP1A2

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 1250/4885KDM4E 1251/4885MAPT 4175/4885

“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.