SCHEMBL6497526

SCHEMBL6497526

COc1ccccc1-c1cnc(C(=O)NC2CC3CNC2C3)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CHRNA7 P36544 1/20 0.42
DGAT1 O75907 1/20 0.40
USP30 Q70CQ3 1/20 0.39
CHEK1 O14757 1/20 0.38
FAAH O00519 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
POLQ O75417 1/20 0.36
APP P05067 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6488254 0.88 USP30 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6490592 0.87 USP30 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6499796 0.86 USP30 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6495825 0.86 USP30 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6496164 0.86 HDAC1 (0.45) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6489257 0.84 USP30 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6490625 0.84 HDAC3 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6489827 0.84 CHRNA7 (0.60) HDAC6CHRNA7FAAHCNR2APP
SCHEMBL7234242 0.83 HDAC3 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6500752 0.83 USP30 (0.52) HDAC6HDAC1CHRNA7DGAT1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 HDAC6 1069/4885HDAC3 1855/4885HDAC1 467/4885

“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.