SCHEMBL6497610

SCHEMBL6497610

O=C(NC1CC2CNC1C2)c1ncc(-c2cccc(Cl)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
HDAC1 Q13547 4/20 0.47
USP30 Q70CQ3 2/20 0.43
CHEK1 O14757 5/20 0.37
CDK2AP1 O14519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DGAT1 O75907 2/20 0.37
GRM5 P41594 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6486763 0.90 HDAC1 (0.43) HDAC6HDAC1USP30CHEK1TRPV1
SCHEMBL6500752 0.90 USP30 (0.52) HDAC6HDAC1USP30DGAT1
SCHEMBL6489240 0.89 USP30 (0.43) HDAC6HDAC1USP30CHEK1DGAT1
SCHEMBL6499660 0.89 USP30 (0.43) HDAC6HDAC1USP30DGAT1
SCHEMBL6491679 0.88 USP30 (0.43) USP30CHEK1CDK2AP1DGAT1GRM5
SCHEMBL6497171 0.88 HDAC1 (0.46) HDAC6HDAC1USP30DGAT1GRM5
SCHEMBL6487221 0.85 HDAC6 (0.49) HDAC6HDAC1USP30CHEK1DGAT1
SCHEMBL6490517 0.85 NQO2 (0.44) USP30CHEK1DGAT1NPC1RAB9A
SCHEMBL6491156 0.84 USP30 (0.41) HDAC6HDAC1USP30CHEK1CDK2AP1
SCHEMBL6490039 0.84 MAPK11 (0.47) HDAC1CHEK1CDK2AP1NPC1RAB9A

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 1069/4885HDAC1 467/4885USP30 3442/4885

“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.