SCHEMBL19219010

SCHEMBL19219010

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.46
▸ SUV39H2 Q9H5I1 2/20 0.46
▸ MAPT P10636 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
▸ UTS2R Q9UKP6 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL19445717 0.99 GHSR (0.46) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL12515243 0.99 GHSR (0.46) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19945124 0.98 SUV39H2 (0.48) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL10262860 0.97 SUV39H2 (0.48) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19219738 0.95 GHSR (0.44) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL17949851 0.94 UTS2R (0.43) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL12515259 0.94 GHSR (0.44) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19485999 0.91 MAPT (0.49) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19445718 0.91 GHSR (0.44) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19445891 0.91 ERAP1 (0.54) SUV39H2MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — 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 (1 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 GHSR 1543/4885SUV39H2 1764/4885MAPT 4736/4885

“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.

Send feedback