SCHEMBL6497715

SCHEMBL6497715

COc1ccc(-c2cnc(C(=O)NC3CC4CNC3C4)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.48
HDAC1 Q13547 10/20 0.48
FAAH O00519 3/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL6502184 0.89 HDAC6 (0.46) HDAC6HDAC1CA12CA1CA2
SCHEMBL6486481 0.89 HDAC1 (0.51) HDAC6HDAC1FAAHHDAC2HDAC3
SCHEMBL6496655 0.88 TUBB4A (0.46) HDAC6HDAC1FAAHCA12CA1
SCHEMBL6485591 0.87 HDAC1 (0.46) HDAC6HDAC1FAAHCA12CA1
SCHEMBL6500659 0.87 HDAC1 (0.46) HDAC6HDAC1CA12CA1CA2
SCHEMBL6488327 0.87 CA12 (0.45) HDAC6HDAC1FAAHCA12CA1
SCHEMBL6501701 0.86 TUBB4A (0.47) HDAC6HDAC1FAAHCA12CA1
SCHEMBL6496600 0.85 KMT2A (0.43) HDAC6HDAC1CA12CA1CA2
SCHEMBL6500577 0.83 MAPKAPK2 (0.45) NPC1RAB9ANAAA
SCHEMBL6486589 0.83 HDAC1 (0.51) HDAC6HDAC1FAAHNPC1RAB9A

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 467/4885FAAH 1988/4885

“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.