SCHEMBL6502161

SCHEMBL6502161

O=C(NC1CC2CNC1C2)c1ncc(-c2ccc(F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
DGAT1 O75907 11/20 0.42
USP30 Q70CQ3 3/20 0.41
ULK1 O75385 1/20 0.41
ABL1 P00519 1/20 0.39
CDK2AP1 O14519 1/20 0.33
CHEK1 O14757 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL6491156 0.90 USP30 (0.41) HDAC1HDAC6DGAT1USP30CDK2AP1
SCHEMBL6491679 0.90 USP30 (0.43) DGAT1USP30ULK1ABL1CDK2AP1
SCHEMBL6486393 0.89 USP30 (0.41) HDAC1HDAC6DGAT1USP30CHEK1
SCHEMBL6501682 0.89 USP30 (0.43) HDAC1HDAC6DGAT1USP30CDK2AP1
SCHEMBL6486763 0.89 HDAC1 (0.43) HDAC1HDAC6DGAT1USP30ABL1
SCHEMBL6500752 0.89 USP30 (0.52) HDAC1HDAC6DGAT1USP30
SCHEMBL6495918 0.86 HDAC1 (0.46) HDAC1HDAC6DGAT1USP30KDM4E
SCHEMBL6499341 0.85 DGAT1 (0.45) DGAT1USP30
SCHEMBL6503084 0.85 DGAT1 (0.43) DGAT1USP30ULK1
SCHEMBL6489240 0.84 USP30 (0.43) HDAC1HDAC6DGAT1USP30CHEK1

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 HDAC1 467/4885HDAC6 1069/4885DGAT1 2495/4885

“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.