SCHEMBL7530941

SCHEMBL7530941

CC(C)(C)OC(=O)C(CCCCNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)C(=O)ON

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ACKR3 P25106 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
HDAC6 Q9UBN7 6/20 0.39
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL8067785 0.84 MAPT (0.49) MAPTNPSR1MEN1KMT2AACKR3
SCHEMBL7138763 0.84 ITGB3 (0.52) MAPTNPSR1MEN1KMT2AROCK2
SCHEMBL7137282 0.84 ITGB3 (0.52) MAPTNPSR1MEN1KMT2AROCK2
SCHEMBL8067786 0.83 ROCK2 (0.42) ROCK2ROCK1ACKR3HDAC6HDAC3
SCHEMBL7146118 0.81 ROCK2 (0.43) ROCK2ROCK1ACKR3HDAC6HDAC3
SCHEMBL7146110 0.81 ROCK2 (0.43) ROCK2ROCK1ACKR3HDAC6HDAC3
SCHEMBL8067790 0.81 ROCK2 (0.42) MAPTNPSR1MEN1KMT2AROCK2
SCHEMBL7140708 0.79 ROCK2 (0.52) MEN1KMT2AROCK2ROCK1HIF1A
SCHEMBL7143256 0.77 LMNA (0.51) ROCK2ROCK1HDAC6HDAC3HDAC1
SCHEMBL7140468 0.77 ROCK2 (0.54) ROCK2ROCK1HDAC6HDAC3HDAC1

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-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 MAPT 86/4885NPSR1 2234/4885MEN1 681/4885

“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.