SCHEMBL4090557

SCHEMBL4090557

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccnc4)cs3)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.57
PDGFRB P09619 8/20 0.57
HDAC1 Q13547 7/20 0.57
KDR P35968 6/20 0.57
HDAC3 O15379 6/20 0.57
HDAC2 Q92769 6/20 0.57
HDAC10 Q969S8 6/20 0.57
HDAC6 Q9UBN7 6/20 0.57
HDAC4 P56524 5/20 0.57
HDAC7 Q8WUI4 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
HDAC5 Q9UQL6 5/20 0.57
NPC1 O15118 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.49
MAPT P10636 3/20 0.48

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
Water SCHEMBL4086225 0.93 NPC1 (0.58) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL4087458 0.91 ABL1 (0.60) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL4080590 0.88 HDAC3 (0.55) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL4081276 0.86 HDAC1 (0.77) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL4087490 0.84 ABL1 (0.66) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL3660909 0.81 ABL1 (0.70) ABL1PDGFRBHDAC1KDRHDAC3
Water SCHEMBL3810741 0.81 NPC1 (0.63) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL3808668 0.80 ABL1 (0.56) ABL1PDGFRBHDAC1KDRHDAC3
SCHEMBL8470941 0.79 HDAC1 (0.73) ABL1PDGFRBHDAC1KDRHDAC3
Water SCHEMBL4092234 0.78 HDAC1 (0.72) ABL1PDGFRBHDAC1KDRHDAC3

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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 ABL1 783/4885PDGFRB 2334/4885HDAC1 1/4885

“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.