SCHEMBL6839627

SCHEMBL6839627

Cc1cc(C)cc(CN2CCN(CCC(=O)N(c3cccc(CN4CCOCC4)c3)C(C)C)C2=C(C#N)C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
NOS1 P29475 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PTGER1 P34995 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NCF1 P14598 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6737153 0.92 HRH3 (0.40) HRH3KDM4EHDAC3HDAC1HDAC6
SCHEMBL6732800 0.92 HDAC3 (0.37) HTTMEN1KMT2AHRH3KDM4E
SCHEMBL6737938 0.89 HRH3 (0.35) HRH3KDM4EHDAC3HDAC1HDAC6
SCHEMBL6739873 0.88 HRH3 (0.35) LMNASMN1; SMN2HTTHRH3KDM4E
SCHEMBL6735998 0.87 KDM4E (0.46) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL6734382 0.86 HRH3 (0.40) HRH3KDM4EALDH1A1
SCHEMBL6735842 0.84 HRH3 (0.36) HRH3
SCHEMBL6733942 0.84 HRH3 (0.36) HRH3
SCHEMBL6729982 0.83 HRH3 (0.40) HRH3PTGER1KDM4E
SCHEMBL6732976 0.82 HRH3 (0.41) HRH3PTGER1

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 3 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

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 LMNA 4169/4885SMN1; SMN2 853/4885HTT 3881/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 LMNA 4169/4885SMN1; SMN2 853/4885HTT 3881/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 LMNA 4169/4885SMN1; SMN2 853/4885HTT 3881/4885

“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.