SCHEMBL6736692

SCHEMBL6736692

O=[N+]([O-])c1cc(CN2CCCCC2)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
POLB P06746 2/20 0.71
KDM4E B2RXH2 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPBWR1 P48145 1/20 0.56
MCHR1 Q99705 1/20 0.56
MAPT P10636 3/20 0.55
VCAM1 P19320 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
RAB9A P51151 1/20 0.51

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
SCHEMBL17095630 0.98 POLB (0.73) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL16054847 0.86 L3MBTL1 (0.61) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL27087824 0.86 ALDH1A1 (0.68) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL15156640 0.82 L3MBTL1 (0.57) ALDH1A1POLBKDM4EL3MBTL1TDP1
SCHEMBL6729837 0.82 L3MBTL1 (0.64) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL1924050 0.82 ALDH1A1 (0.62) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL4158661 0.82 L3MBTL1 (0.57) ALDH1A1POLBKDM4EL3MBTL1TDP1
SCHEMBL21383091 0.81 L3MBTL1 (0.63) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL5238051 0.80 L3MBTL1 (0.55) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL14238269 0.79 L3MBTL1 (0.60) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1

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 569/4885POLB 3185/4885KDM4E 4423/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885POLB 3185/4885KDM4E 4423/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ALDH1A1 569/4885POLB 3185/4885KDM4E 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.