SCHEMBL6886575

SCHEMBL6886575

CC1CCC(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)[nH]3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
AURKA O14965 2/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
SCN2A Q99250 1/20 0.43
CHEK2 O96017 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
XDH P47989 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6883824 0.90 KMT2A (0.53) NPC1RAB9AKMT2AKCNQ3KCNQ2
SCHEMBL6027719 0.90 PTPN1 (0.49) AURKANR2E3SCN2ACHEK2KMT2A
SCHEMBL6885314 0.90 NPC1 (0.53) NPC1RAB9ANR2E3KMT2AJAK2
SCHEMBL6026279 0.90 PTPN1 (0.49) AURKANR2E3SCN2ACHEK2KMT2A
SCHEMBL6887573 0.90 NR2E3 (0.45) NPC1RAB9ANR2E3KMT2AKCNQ3
SCHEMBL6886834 0.89 KMT2A (0.53) NPC1RAB9AAURKASCN2AKMT2A
SCHEMBL6885545 0.85 ABL1 (0.45) NPC1RAB9AKMT2AJAK2KDM4E
SCHEMBL6028312 0.85 RAB9A (0.52) NPC1RAB9AKDM4EALDH1A1
SCHEMBL6029160 0.85 PTPN1 (0.54) NPC1RAB9AKDM4EALDH1A1
SCHEMBL6028319 0.85 PTPN1 (0.54) NPC1RAB9AKDM4EALDH1A1

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 NPC1 4755/4885RAB9A 3864/4885AURKA 338/4885

“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.