SCHEMBL4315583

SCHEMBL4315583

COc1cc(C=Cc2n[nH]c3ccccc23)c([N+](=O)[O-])cc1OCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL4315576 1.00 CHEK1 (0.46) CHEK1CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL4312101 0.96 CYP2D6 (0.50) CHEK1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4312109 0.96 CYP2D6 (0.50) CHEK1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4312353 0.86 KIT (0.44) CHEK1MAOBMAPK13MAPK12MAPK11
SCHEMBL4312360 0.86 KIT (0.44) CHEK1MAOBMAPK13MAPK12MAPK11
SCHEMBL4321132 0.85 KDM4E (0.50) CYP1A2CYP2D6CYP2C19MAOBALDH1A1
SCHEMBL4311237 0.85 KDM4E (0.50) CYP1A2CYP2D6CYP2C19MAOBALDH1A1
SCHEMBL5692316 0.84 CYP1A2 (0.49) CHEK1CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL5692313 0.84 CYP1A2 (0.49) CHEK1CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL4310317 0.84 MAPT (0.48) CHEK1CYP2C19ALDH1A1KDM4EHPGD

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 CHEK1 3274/4885CYP1A2 2250/4885CYP2D6 3041/4885

“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.