SCHEMBL4312101

SCHEMBL4312101

COc1cc(/C=C/c2n[nH]c3ccccc23)c([N+](=O)[O-])cc1OCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHEK1 O14757 4/20 0.46
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MET P08581 2/20 0.43
SRC P12931 3/20 0.42
KDM1A O60341 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
EGFR P00533 2/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL4312109 1.00 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19CHEK1KEAP1
SCHEMBL4315576 0.96 CHEK1 (0.46) CYP2D6CYP1A2CYP2C19CHEK1KEAP1
SCHEMBL4315583 0.96 CHEK1 (0.46) CYP2D6CYP1A2CYP2C19CHEK1KEAP1
SCHEMBL4313598 0.86 CHEK1 (0.47) CYP2D6CHEK1KEAP1NFE2L2KDM4E
SCHEMBL4313587 0.86 CHEK1 (0.47) CYP2D6CHEK1KEAP1NFE2L2KDM4E
SCHEMBL4310311 0.83 MAPT (0.48) CYP2C19CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4310317 0.83 MAPT (0.48) CYP2C19CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4318950 0.82 OPRM1 (0.39) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL4312353 0.82 KIT (0.44) CHEK1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL4312360 0.82 KIT (0.44) CHEK1KEAP1NFE2L2KDM4EALDH1A1

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.