SCHEMBL10198580

SCHEMBL10198580

CCCCC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCN)c3SCCN)c2)c1SCCN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 3/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CETP P11597 1/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KIF11 P52732 1/20 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
SCHEMBL85871 0.96 HDAC3 (0.42) MEN1KMT2AHDAC3HDAC1RAB9A
SCHEMBL10198583 0.95 HDAC3 (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL85874 0.93 HDAC3 (0.44) MEN1KMT2AHDAC3HDAC1KIF11
SCHEMBL13057621 0.90 HDAC1 (0.38) ALDH1A1MAPTHDAC3HDAC1KIF11
SCHEMBL19940162 0.86 HDAC3 (0.40) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL85876 0.84 HDAC3 (0.47) HDAC3HDAC1
SCHEMBL19945148 0.83 HDAC3 (0.42) HDAC3HDAC1
SCHEMBL85827 0.83 KIF11 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL18116451 0.82 ERAP2 (0.48)
SCHEMBL10198577 0.82 ERAP2 (0.46)

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 SMN1; SMN2 1093/4885ALDH1A1 1289/4885MAPT 4736/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 SMN1; SMN2 1093/4885ALDH1A1 1289/4885MAPT 4736/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 SMN1; SMN2 1093/4885ALDH1A1 1289/4885MAPT 4736/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 SMN1; SMN2 4417/4885ALDH1A1 2581/4885MAPT 4151/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 SMN1; SMN2 4417/4885ALDH1A1 2581/4885MAPT 4151/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI SMN1; SMN2 2511/4885ALDH1A1 899/4885MAPT 4558/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 SMN1; SMN2 881/4885ALDH1A1 1127/4885MAPT 4683/4885

“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.