SCHEMBL10198591

SCHEMBL10198591

CC(=N)NCCCCC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCCNC(=N)N)c3SCCN)c2)c1SCCN

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.45
HDAC1 Q13547 15/20 0.45
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL85876 0.97 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL10198753 0.97 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL10198584 0.97 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL85873 0.95 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL19945148 0.93 HDAC3 (0.42) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL879578 0.92 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL14117660 0.92 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL19940162 0.90 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL13400044 0.89 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2
SCHEMBL10198643 0.89 HDAC3 (0.41) HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 US disclosed
US-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 US disclosed
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 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 (7 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC3 328/4885HDAC1 562/4885HDAC2 432/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 HDAC3 328/4885HDAC1 562/4885HDAC2 432/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC3 328/4885HDAC1 562/4885HDAC2 432/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 HDAC3 303/4885HDAC1 999/4885HDAC2 575/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 HDAC3 303/4885HDAC1 999/4885HDAC2 575/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI HDAC3 291/4885HDAC1 405/4885HDAC2 314/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 HDAC3 912/4885HDAC1 1443/4885HDAC2 1259/4885

“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.