SCHEMBL6497171

SCHEMBL6497171

Cc1cccc(-c2cnc(C(=O)NC3CC4CNC3C4)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
USP30 Q70CQ3 2/20 0.45
DGAT1 O75907 3/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
GRM5 P41594 1/20 0.34
POLQ O75417 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK14 Q16539 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
SCHEMBL6501682 0.90 USP30 (0.43) HDAC1HDAC6USP30DGAT1
SCHEMBL6500752 0.90 USP30 (0.52) HDAC1HDAC6USP30DGAT1
SCHEMBL6489240 0.89 USP30 (0.43) HDAC1HDAC6USP30DGAT1AXL
SCHEMBL6499660 0.89 USP30 (0.43) HDAC1HDAC6HSD17B1HSD17B2USP30
SCHEMBL6491679 0.88 USP30 (0.43) USP30DGAT1GRM5
SCHEMBL6497610 0.88 HDAC6 (0.47) HDAC1HDAC6USP30DGAT1NPC1
SCHEMBL6487221 0.87 HDAC6 (0.49) HDAC1HDAC6HSD17B1HSD17B2USP30
SCHEMBL6490517 0.87 NQO2 (0.44) USP30DGAT1KDM4ENPC1POLB
SCHEMBL6491156 0.84 USP30 (0.41) HDAC1HDAC6HSD17B1HSD17B2USP30
SCHEMBL6487853 0.84 RXFP1 (0.47) HDAC1HSD17B1HSD17B2KDM4ENPC1

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 1069/4885HSD17B1 311/4885

“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.