SCHEMBL6737324

SCHEMBL6737324

CC(C)(C)OC(=O)CCCNCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL3857331 0.86 MAPT (0.50) MAPTCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL13332170 0.85 MAPT (0.57) MAPTCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL8163779 0.83 MAPT (0.50) MAPTCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL6736164 0.81 CHRM2 (0.40) CYP2D6CYP2C19MEN1KMT2AALDH1A1
SCHEMBL16086431 0.80 HDAC3 (0.52) MEN1KMT2AKDM4ETDP1
SCHEMBL6676703 0.79 MAPT (0.55) MAPTCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1019102 0.78 MAPT (0.55) MAPTCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL6740584 0.78 THRA (0.40) CYP2D6CYP2C19MEN1KMT2AALDH1A1
SCHEMBL8160620 0.78 KMT2A (0.51) MAPTCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL7962315 0.78 TSHR (0.51) MAPTCYP2D6CYP2C9CYP2C19RECQL

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 MAPT 3460/4885CYP2D6 685/4885CYP2C9 236/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 MAPT 3460/4885CYP2D6 685/4885CYP2C9 236/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 MAPT 3460/4885CYP2D6 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.