SCHEMBL6739873

SCHEMBL6739873

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.31
HTR2C P28335 2/20 0.30
KEAP1 Q14145 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6737938 0.92 HRH3 (0.35) HRH3ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL6732800 0.89 HDAC3 (0.37) HRH3ALDH1A1KDM4EHTR2CHDAC3
SCHEMBL6839627 0.88 LMNA (0.37) HRH3ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL6733942 0.87 HRH3 (0.36) HRH3BRD4HTR2C
SCHEMBL6735998 0.84 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL6732976 0.80 HRH3 (0.41) HRH3
SCHEMBL6734999 0.79 CYP2D6 (0.42) HRH3KDM4E
SCHEMBL6740383 0.78 HRH3 (0.42) HRH3ALDH1A1KDM4EHTT
SCHEMBL6740296 0.78 HRH3 (0.44) HRH3
SCHEMBL6799900 0.77 HRH3 (0.36) HRH3ALDH1A1SMN1; SMN2CYP3A4

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 HRH3 530/4885ALDH1A1 569/4885LMNA 4169/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885ALDH1A1 569/4885LMNA 4169/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885ALDH1A1 569/4885LMNA 4169/4885

“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.