SCHEMBL19945124

SCHEMBL19945124

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)Cc5c[nH]c6ccccc56)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.48
▸ MAPT P10636 4/20 0.46
▸ RUVBL1 Q9Y265 4/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL10262860 0.99 SUV39H2 (0.48) SUV39H2MAPTRUVBL1HDAC8HDAC3
SCHEMBL19219010 0.98 GHSR (0.46) SUV39H2MAPTHDAC8HDAC3HDAC4
SCHEMBL12515243 0.97 GHSR (0.46) SUV39H2MAPTHDAC8HDAC3HDAC4
SCHEMBL19445717 0.97 GHSR (0.46) SUV39H2MAPTHDAC8HDAC3HDAC4
SCHEMBL19485999 0.93 MAPT (0.49) SUV39H2MAPTHDAC8HDAC3HDAC4
SCHEMBL12515369 0.93 ERAP1 (0.54) SUV39H2MAPTERAP2ERAP1LNPEP
SCHEMBL19445891 0.93 ERAP1 (0.54) SUV39H2MAPTERAP2ERAP1LNPEP
SCHEMBL19219738 0.93 GHSR (0.44) SUV39H2MAPTHDAC8HDAC3HDAC4
SCHEMBL17949851 0.92 UTS2R (0.43) SUV39H2MAPTHDAC8HDAC3HDAC4
SCHEMBL12515259 0.92 GHSR (0.44) SUV39H2MAPTHDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI SUV39H2 2193/4885MAPT 4558/4885RUVBL1 4069/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI SUV39H2 2193/4885MAPT 4558/4885RUVBL1 4069/4885

“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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