SCHEMBL6501650

SCHEMBL6501650

Nc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
CHEK1 O14757 1/20 0.38
HPGDS O60760 1/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC1 Q13547 5/20 0.38
DGAT1 O75907 4/20 0.38
AXL P30530 2/20 0.37
MERTK Q12866 2/20 0.37
ESR1 P03372 2/20 0.35
ESRRG P62508 2/20 0.35
ESR2 Q92731 2/20 0.35
PTPN1 P18031 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
SCHEMBL6490254 0.92 USP30 (0.43) USP30CHEK1HDAC6HDAC1DGAT1
SCHEMBL6489724 0.90 USP30 (0.53) USP30HDAC6HDAC1DGAT1
SCHEMBL6499800 0.90 USP30 (0.44) USP30HPGDSHDAC6HDAC1DGAT1
SCHEMBL6500135 0.89 HDAC6 (0.49) USP30HDAC6HDAC1DGAT1AXL
SCHEMBL6487733 0.89 USP30 (0.43) USP30CHEK1HDAC6HDAC1DGAT1
SCHEMBL6487027 0.89 HDAC6 (0.50) USP30CHEK1HDAC6HDAC1DGAT1
SCHEMBL6487324 0.86 HDAC6 (0.52) USP30CHEK1HPGDSHDAC6HDAC1
SCHEMBL6495134 0.86 USP30 (0.44) USP30HDAC6HDAC1DGAT1ESR1
SCHEMBL6488820 0.85 NQO2 (0.45) USP30CHEK1DGAT1
SCHEMBL6490465 0.85 HDAC6 (0.45) USP30HDAC6HDAC1DGAT1

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 6 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 3442/4885CHEK1 4398/4885HPGDS 1622/4885

“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.