SCHEMBL6490254

SCHEMBL6490254

Nc1ccc(-c2cnc(C(=O)NC3CC4CC3CN4)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
DGAT1 O75907 8/20 0.41
CYP3A4 P08684 2/20 0.37
HDAC6 Q9UBN7 5/20 0.35
HDAC1 Q13547 4/20 0.35
CSNK2A1 P68400 1/20 0.34
CHEK1 O14757 1/20 0.34
ROCK1 Q13464 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL6501650 0.92 USP30 (0.44) USP30DGAT1HDAC6HDAC1CHEK1
SCHEMBL6495134 0.90 USP30 (0.44) USP30DGAT1HDAC6HDAC1ROCK1
SCHEMBL6489724 0.90 USP30 (0.53) USP30DGAT1HDAC6HDAC1
SCHEMBL6498247 0.89 USP30 (0.45) USP30DGAT1HDAC6HDAC1
SCHEMBL6499855 0.89 HDAC1 (0.45) USP30DGAT1HDAC6HDAC1CHEK1
SCHEMBL6490465 0.89 HDAC6 (0.45) USP30DGAT1HDAC6HDAC1
SCHEMBL6496553 0.86 HDAC1 (0.48) USP30DGAT1HDAC6HDAC1CSNK2A1
SCHEMBL6485776 0.85 DGAT1 (0.47) USP30DGAT1ROCK1
SCHEMBL6499800 0.85 USP30 (0.44) USP30DGAT1CYP3A4HDAC6HDAC1
SCHEMBL6487733 0.84 USP30 (0.43) USP30DGAT1HDAC6HDAC1CHEK1

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 USP30 3442/4885DGAT1 2495/4885CYP3A4 473/4885

“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.