SCHEMBL6883718

SCHEMBL6883718

O=C(NC1CCCCC1)c1ccc(-c2cnc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 3/20 0.42
NAMPT P43490 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CNR2 P34972 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RIPK1 Q13546 1/20 0.39

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
SCHEMBL6026920 0.87 EPHX2 (0.47) EPHX2KDM4EMEN1KMT2ARXFP1
SCHEMBL6026524 0.87 EPHX2 (0.47) EPHX2KDM4EMEN1KMT2ARXFP1
SCHEMBL6028629 0.83 PTPN1 (0.50) EPHX2KDM4EMEN1KMT2ARXFP1
SCHEMBL6027061 0.83 PTPN1 (0.50) EPHX2KDM4EMEN1KMT2ARXFP1
SCHEMBL6026031 0.83 MEN1 (0.52) KDM4EMEN1KMT2ARXFP1HDAC1
SCHEMBL6887915 0.81 CNR2 (0.46) EPHX2KDM4EMEN1KMT2ACNR2
SCHEMBL14381447 0.80 PRSS12 (0.51) EPHX2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14381688 0.80 KDM4E (0.52) EPHX2KDM4EMEN1KMT2ARXFP1
SCHEMBL14381470 0.80 PRSS12 (0.51) EPHX2KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14381661 0.80 KDM4E (0.52) EPHX2KDM4EMEN1KMT2ARXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 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 (1 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 EPHX2 2626/4885KDM4E 543/4885MEN1 2429/4885

“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.