SCHEMBL6735828

SCHEMBL6735828

Nc1cc(CN2CCCCC2)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ALDH1A1 P00352 5/20 0.62
HRH3 Q9Y5N1 2/20 0.62
KDM4E B2RXH2 2/20 0.59
HRH4 Q9H3N8 1/20 0.56
HTT P42858 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
PRMT6 Q96LA8 1/20 0.49
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL17095499 0.98 POLB (0.69) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL9612032 0.84 POLB (0.69) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL10240068 0.84 ALDH1A1 (0.63) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL30596563 0.84 POLB (1.00) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL24023500 0.84 POLB (1.00) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL24023501 0.84 POLB (1.00) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL13293705 0.84 POLB (1.00) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL27087826 0.83 HRH3 (0.59) POLBSMN1; SMN2HRH3SIGMAR1
SCHEMBL6795896 0.82 POLB (0.96) POLBSMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL28366319 0.82 ALDH1A1 (0.60) POLBSMN1; SMN2ALDH1A1HRH3KDM4E

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 POLB 3185/4885SMN1; SMN2 853/4885ALDH1A1 569/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 POLB 3185/4885SMN1; SMN2 853/4885ALDH1A1 569/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 POLB 3185/4885SMN1; SMN2 853/4885ALDH1A1 569/4885

“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.