SCHEMBL1176293

SCHEMBL1176293

CCCCN(Cc1ccc(CN(CCCC)C(=N)NC(=N)Nc2ccccc2)cc1)C(=N)NC(=N)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC3 O15379 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
EGFR P00533 6/20 0.44
ERBB2 P04626 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43

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
SCHEMBL10083469 0.88 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1171548 0.87 CNR2 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1170158 0.83 CNR2 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1103767 0.83 ALDH1A1 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1108183 0.81 CNR2 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL8963242 0.80 CNR2 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13528906 0.77 TP53 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13953641 0.77 CNR2 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13523186 0.77 CNR2 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL11141720 0.75 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC4

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-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 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 (2 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-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans PAICS, KRTCAP2, OSTC HDAC6 932/4885HDAC1 758/4885HDAC3 2711/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 HDAC6 1072/4885HDAC1 857/4885HDAC3 3614/4885

“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.