SCHEMBL6739645

SCHEMBL6739645

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.34
KEAP1 Q14145 1/20 0.33
GPR183 P32249 1/20 0.33
S1PR1 P21453 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL6735212 0.87 KAT2B (0.38) HRH3KDM4E
SCHEMBL6733915 0.85 HRH3 (0.40) HRH3KDM4ETDP1
SCHEMBL7662241 0.83 HRH3 (0.42) HRH3KDM4EALDH1A1CYP3A4RECQL
SCHEMBL7657040 0.79 HRH3 (0.39) HRH3
SCHEMBL6734314 0.75 HRH3 (0.44) HRH3KDM4ETDP1S1PR1
SCHEMBL6737938 0.75 HRH3 (0.35) HRH3KDM4EALDH1A1CYP3A4RECQL
SCHEMBL6739873 0.74 HRH3 (0.35) HRH3KDM4EALDH1A1CYP3A4RECQL
SCHEMBL6736330 0.74 HRH3 (0.43) HRH3KDM4EALDH1A1
SCHEMBL6732800 0.72 HDAC3 (0.37) HRH3KDM4EALDH1A1
SCHEMBL6735891 0.72 HRH3 (0.42) HRH3

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 530/4885KDM4E 4423/4885ALDH1A1 569/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885KDM4E 4423/4885ALDH1A1 569/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885KDM4E 4423/4885ALDH1A1 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.