SCHEMBL6884593

SCHEMBL6884593

O=C(Nc1ccccn1)c1ccc(-c2cnc(-c3ccccc3NC(=O)C3C4CC5CC(C4)CC3C5)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.39
F2 P00734 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
F10 P00742 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL6881846 0.91 BACE1 (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6026823 0.89 NPC1 (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6886857 0.84 EPHX2 (0.43) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL6888859 0.78 ITGA4 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6883829 0.78 PTPN1 (0.44) NPC1RAB9AKMT2AHDAC3HDAC1
SCHEMBL6887196 0.77 MAPT (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6026827 0.74 RAB9A (0.47) NPC1RAB9AMEN1KMT2AF2
SCHEMBL6026673 0.71 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6027039 0.71 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6026919 0.71 EPHX2 (0.47) NPC1RAB9AMEN1KMT2ALMNA

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 NPC1 4755/4885RAB9A 3864/4885MEN1 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.