SCHEMBL6887918

SCHEMBL6887918

c1cc(-c2cnc(-c3ccc(NC45CC6CC(CC(C6)C4)C5)cc3)[nH]2)ccc1NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 6/20 0.45
NPY5R Q15761 5/20 0.45
TRPV1 Q8NER1 1/20 0.39
HPGDS O60760 4/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL6887915 0.88 CNR2 (0.46)
SCHEMBL6026686 0.84 PTPN1 (0.48) JAK1
SCHEMBL6027187 0.84 PTPN1 (0.48) JAK1
SCHEMBL6026524 0.82 EPHX2 (0.47)
SCHEMBL6026920 0.82 EPHX2 (0.47)
SCHEMBL6027331 0.82 GSK3B (0.39)
SCHEMBL6026827 0.81 RAB9A (0.47) NQO2
SCHEMBL6027147 0.81 SCN3A (0.39) JAK2JAK1JAK3NQO2
SCHEMBL6027254 0.78 ALDH1A1 (0.47)
SCHEMBL27636642 0.77 NQO2 (0.36) SCN2ANPY5RHPGDSHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826111-A Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS (US) 2006-08-30 CN disclosed
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 SCN2A 4668/4885NPY5R 4342/4885TRPV1 1910/4885

“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.