SCHEMBL6733915

SCHEMBL6733915

N#CC(C#N)=C1N(CCC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.40
RAPGEF3 O95398 2/20 0.34
ENPP2 Q13822 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMO O15229 1/20 0.31

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
SCHEMBL6739645 0.85 HRH3 (0.40) HRH3KDM4ETDP1
SCHEMBL6737935 0.75 RAPGEF3 (0.44) HRH3RAPGEF3POLB
SCHEMBL6735212 0.72 KAT2B (0.38) HRH3KMT2AKDM4EMEN1
SCHEMBL6734314 0.72 HRH3 (0.44) HRH3POLBKMT2AL3MBTL1KDM4E
SCHEMBL6729982 0.72 HRH3 (0.40) HRH3RAPGEF3CYP2D6CYP2C9KDM4E
SCHEMBL6734004 0.71 HRH3 (0.67) HRH3KMT2AMEN1TDP1
SCHEMBL6733733 0.71 RAPGEF3 (0.39) HRH3RAPGEF3POLB
SCHEMBL7659514 0.71 RAPGEF3 (0.46) HRH3RAPGEF3
SCHEMBL7660195 0.69 HRH3 (0.47) HRH3RAPGEF3KMT2AKDM4EMEN1
SCHEMBL7662241 0.68 HRH3 (0.42) HRH3KDM4EMAPTTDP1

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 530/4885RAPGEF3 2984/4885ENPP2 1508/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885RAPGEF3 2984/4885ENPP2 1508/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885RAPGEF3 2984/4885ENPP2 1508/4885

“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.