SCHEMBL4525873

SCHEMBL4525873

CC(C)(C)c1nc(N(C(=O)O)C(=O)O)nc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)N3CCOCC3)cc2)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MOK Q9UQ07 1/20 0.37
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
TACR2 P21452 2/20 0.36
HDAC1 Q13547 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4537056 0.74 ROCK2 (0.51) ALDH1A1TSHRMAPK1NPSR1HDAC8
SCHEMBL4522473 0.74 ROCK2 (0.51) ALDH1A1TSHRMAPK1NPSR1HDAC8
SCHEMBL4525858 0.74 JAK2 (0.41) ALDH1A1MOKTSHRMAPK1NPSR1
SCHEMBL4519208 0.72 KMT2A (0.56) ALDH1A1TSHRMMP8MAPK1NPSR1
SCHEMBL4524041 0.72 KMT2A (0.56) ALDH1A1TSHRMMP8MAPK1NPSR1
SCHEMBL4530249 0.70 JAK2 (0.48) ALDH1A1MOKTSHRHDAC1
SCHEMBL4631827 0.66 JAK2 (0.42) ALDH1A1MOKTSHRMAPK1NPSR1
SCHEMBL14338279 0.65 JAK2 (0.56)
SCHEMBL14338306 0.64 JAK2 (0.69) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL28279760 0.64 HSD17B10 (0.54) ALDH1A1TSHRMMP8MAPK1NPSR1

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ALDH1A1 3985/4885MOK 855/4885TSHR 2514/4885

“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.