SCHEMBL10198583

SCHEMBL10198583

CCCCCC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCCN)c3SCCN)c2)c1SCCN

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.41
HDAC1 Q13547 7/20 0.41
CETP P11597 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PPARA Q07869 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SOAT1 P35610 2/20 0.36

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
SCHEMBL85874 0.96 HDAC3 (0.44) HDAC3HDAC1MEN1KMT2A
SCHEMBL10198580 0.95 SMN1; SMN2 (0.41) HDAC3HDAC1CETPALDH1A1MAPT
SCHEMBL85871 0.93 HDAC3 (0.42) HDAC3HDAC1MEN1KMT2A
SCHEMBL19940162 0.91 HDAC3 (0.40) HDAC3HDAC1CETPALDH1A1MAPT
SCHEMBL13057621 0.87 HDAC1 (0.38) HDAC3HDAC1ALDH1A1MAPT
SCHEMBL19945148 0.86 HDAC3 (0.42) HDAC3HDAC1
SCHEMBL85876 0.85 HDAC3 (0.47) HDAC3HDAC1
SCHEMBL10198577 0.85 ERAP2 (0.46)
SCHEMBL18116451 0.83 ERAP2 (0.48)
SCHEMBL10198591 0.83 HDAC3 (0.45) HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (6 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 562/4885CETP 1015/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 HDAC3 328/4885HDAC1 562/4885CETP 1015/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC3 328/4885HDAC1 562/4885CETP 1015/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 HDAC3 303/4885HDAC1 999/4885CETP 738/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 HDAC3 303/4885HDAC1 999/4885CETP 738/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 HDAC3 912/4885HDAC1 1443/4885CETP 1273/4885

“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.