SCHEMBL4312079

SCHEMBL4312079

COc1c(OCCN2CCOCC2)ccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
SYK P43405 1/20 0.45
CHEK1 O14757 1/20 0.45
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
MEN1 O00255 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
SCHEMBL17727606 0.95 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL4320360 0.79 MEN1 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4314516 0.78 MEN1 (0.43) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL4308230 0.78 KMT2A (0.43) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL4320265 0.78 RAB9A (0.38) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL31620997 0.78 KDM4E (0.58) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL19600179 0.78 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL4321227 0.77 ALDH1A1 (0.59) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL10318577 0.77 ALDH1A1 (0.59) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL29618260 0.77 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E

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 CYP2D6 3041/4885CYP1A2 2250/4885CYP2C19 1774/4885

“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.