SCHEMBL6733742

SCHEMBL6733742

COC(=O)c1ccc(CNc2cccc(CN3CCCCC3)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6733775 0.81 HIF1A (0.57) ALDH1A1KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL6737254 0.81 CYP2D6 (0.44) ALDH1A1KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL6582577 0.79 ALDH1A1 (0.88) ALDH1A1NPSR1KDM4EGAAHRH3
SCHEMBL16789041 0.76 HTT (0.61) ALDH1A1NPSR1CYP2D6CYP2C9HIF1A
SCHEMBL6736754 0.74 ACKR3 (0.41) ALDH1A1KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL12563565 0.74 CYP2D6 (0.69) ALDH1A1KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL6734315 0.74 HRH3 (0.54) ALDH1A1KDM4EGAACYP2D6CYP2C9
SCHEMBL6735403 0.73 ACP1 (0.50) ALDH1A1KDM4EMEN1KMT2ACDK5
SCHEMBL6736756 0.73 CDK5 (0.48) ALDH1A1KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL1373046 0.72 CYP2D6 (0.67) ALDH1A1KDM4ECYP2D6CYP2C9HIF1A

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 ALDH1A1 569/4885NPSR1 2699/4885KDM4E 4423/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885NPSR1 2699/4885KDM4E 4423/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885NPSR1 2699/4885KDM4E 4423/4885

“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.