SCHEMBL6487945

SCHEMBL6487945

O=C(NC1CC2CNC1C2)c1ncc(-c2cccc(NC(=O)C(F)(F)F)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
FAAH O00519 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL6498487 0.89 TUBB4A (0.41) TP53HDAC1HDAC6FAAHTUBB4A
SCHEMBL6488148 0.89 NQO2 (0.43) TP53MAPTHDAC1HDAC6TUBB4A
SCHEMBL6498804 0.85 TP53 (0.40) TP53MAPTHDAC1HDAC6FAAH
SCHEMBL6492485 0.85 MAPT (0.39) TP53MAPTNPC1RAB9APAX8
SCHEMBL6490319 0.85 FAAH (0.48) HDAC1HDAC6FAAHTUBB4ATUBB
SCHEMBL6500494 0.84 FAAH (0.47) HDAC1HDAC6FAAHTUBB4ATUBB
SCHEMBL6496592 0.83 FAAH (0.35) TP53MAPTHDAC1HDAC6FAAH
SCHEMBL6500155 0.83 HDAC1 (0.50) MAPTHDAC1HDAC6TUBB4ATUBB
SCHEMBL6496764 0.83 FAAH (0.48) HDAC1HDAC6FAAHTUBB4ATUBB
SCHEMBL6486774 0.83 HDAC1 (0.49) HDAC1HDAC6FAAHTUBB4ATUBB

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 TP53 2577/4885MAPT 4385/4885HDAC1 467/4885

“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.