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SCHEMBL10263117

SCHEMBL10263117

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(=O)CCCCNC(=N)N)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ NPY5R Q15761 5/20 0.41
▸ NPY4R P50391 5/20 0.41
▸ NPY1R P25929 4/20 0.41
▸ NPY2R P49146 2/20 0.41
▸ MMP2 P08253 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ F2 P00734 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
SCHEMBL10260131 0.97 NPY4R (0.43) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL19445529 0.97 NPY4R (0.42) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL10262456 0.96 NPY4R (0.45) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL10261876 0.95 HDAC3 (0.40) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL19445744 0.95 HDAC3 (0.40) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL19445600 0.94 NPC1 (0.38) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL10262870 0.93 NPY4R (0.43) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL10262202 0.93 NPY4R (0.43) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL10267931 0.93 NPY4R (0.43) HDAC1HDAC3HDAC4EGFRHDAC7
SCHEMBL18116719 0.93 MMP2 (0.40) NPY5RNPY4RNPY1RNPY2RMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — US disclosed
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 — — US disclosed
US-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 — — US disclosed
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-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 (10 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 HDAC1 562/4885HDAC3 328/4885HDAC4 454/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 HDAC1 562/4885HDAC3 328/4885HDAC4 454/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 HDAC1 562/4885HDAC3 328/4885HDAC4 454/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC1 562/4885HDAC3 328/4885HDAC4 454/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 HDAC1 999/4885HDAC3 303/4885HDAC4 684/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 HDAC1 999/4885HDAC3 303/4885HDAC4 684/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI HDAC1 405/4885HDAC3 291/4885HDAC4 453/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC1 562/4885HDAC3 328/4885HDAC4 454/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI HDAC1 405/4885HDAC3 291/4885HDAC4 453/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 HDAC1 1443/4885HDAC3 912/4885HDAC4 921/4885

“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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