SCHEMBL6887573

SCHEMBL6887573

CC1CCC(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4)[nH]3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 3/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
CCR2 P41597 6/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CCR5 P51681 1/20 0.42
BCAT2 O15382 1/20 0.42
NPY5R Q15761 1/20 0.40

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
SCHEMBL6027443 0.91 NR2E3 (0.49) NR2E3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6886575 0.90 NPC1 (0.43) NR2E3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6883824 0.86 KMT2A (0.53) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6885314 0.86 NPC1 (0.53) NR2E3KMT2ANPC1RAB9ABCAT2
SCHEMBL6886834 0.84 KMT2A (0.53) MEN1KMT2AKDM4ENPC1PKM
SCHEMBL6886236 0.83 KDM4E (0.44) NR2E3KMT2AKDM4ENPC1MAPT
SCHEMBL6028312 0.83 RAB9A (0.52) KDM4ENPC1MAPTRAB9A
SCHEMBL6028319 0.82 PTPN1 (0.54) KDM4ENPC1RAB9A
SCHEMBL6029160 0.82 PTPN1 (0.54) KDM4ENPC1RAB9A
SCHEMBL6027809 0.82 RAB9A (0.55) NR2E3KMT2AKDM4ENPC1MAPT

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 NR2E3 3895/4885KCNQ3 3602/4885KCNQ2 3248/4885

“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.