SCHEMBL13521700

SCHEMBL13521700

CCNC(=O)CCC(=O)N(CCN)Cc1ccc(CN(CCN)C(=O)CCC(=O)NCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 3/20 0.49
▸ HDAC1 Q13547 9/20 0.47
▸ HDAC6 Q9UBN7 9/20 0.47
▸ HDAC3 O15379 5/20 0.47
▸ HDAC2 Q92769 5/20 0.47
▸ HDAC4 P56524 4/20 0.47
▸ HDAC7 Q8WUI4 4/20 0.47
▸ HDAC10 Q969S8 4/20 0.47
▸ HDAC11 Q96DB2 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC9 Q9UKV0 4/20 0.47
▸ HDAC5 Q9UQL6 4/20 0.47
▸ NCOR2 Q9Y618 1/20 0.45
▸ MC4R P32245 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL13919712 0.89 TPSAB1 (0.47) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL13521689 0.87 TPSAB1 (0.47) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL14703486 0.83 HDAC3 (0.51) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL13521694 0.83 HDAC3 (0.50) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL13875714 0.82 HDAC3 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL14703494 0.81 HDAC3 (0.54) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL13908255 0.80 TPSAB1 (0.42) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL13933216 0.80 TPSAB1 (0.42) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL14703491 0.80 HDAC3 (0.48) TPSAB1HDAC1HDAC6HDAC3HDAC2
SCHEMBL13521690 0.79 HDAC3 (0.46) TPSAB1HDAC1HDAC6HDAC3HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 — — US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 — — US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 — — US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 — — US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 — — US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 — — US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 — — US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 — — 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 (8 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 TPSAB1 3198/4885HDAC1 758/4885HDAC6 932/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 TPSAB1 1043/4885HDAC1 857/4885HDAC6 1072/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD TPSAB1 2337/4885HDAC1 480/4885HDAC6 944/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP TPSAB1 4382/4885HDAC1 715/4885HDAC6 2183/4885
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 TPSAB1 2266/4885HDAC1 448/4885HDAC6 624/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS TPSAB1 3682/4885HDAC1 2165/4885HDAC6 2676/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 TPSAB1 1170/4885HDAC1 639/4885HDAC6 2060/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 TPSAB1 2266/4885HDAC1 448/4885HDAC6 624/4885

“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.

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