SCHEMBL6733775

SCHEMBL6733775

COC(=O)c1cccc(CNc2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.57
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CHRM3 P20309 1/20 0.53
SENP1 Q9P0U3 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
PPM1D O15297 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACKR3 P25106 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL12563565 0.89 CYP2D6 (0.69) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL1373046 0.88 CYP2D6 (0.67) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL20209837 0.85 CYP2D6 (0.62) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL6737254 0.81 CYP2D6 (0.44) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL6733742 0.81 ALDH1A1 (0.56) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL6730138 0.81 SMN1; SMN2 (0.51) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL6736756 0.79 CDK5 (0.48) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1
SCHEMBL6734315 0.79 HRH3 (0.54) HIF1ACYP2D6CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL15761753 0.79 HIF1A (0.85) HIF1AALDH1A1SENP1RAB9ALOXL2
SCHEMBL13150524 0.79 MEN1 (0.56) HIF1ACYP2D6CYP2C9SMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HIF1A 2307/4885CYP2D6 685/4885CYP2C9 236/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HIF1A 2307/4885CYP2D6 685/4885CYP2C9 236/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HIF1A 2307/4885CYP2D6 685/4885CYP2C9 236/4885

“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.