SCHEMBL4081276

SCHEMBL4081276

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.77
ABL1 P00519 12/20 0.77
PDGFRB P09619 10/20 0.77
KDR P35968 10/20 0.77
HDAC3 O15379 9/20 0.77
HDAC4 P56524 9/20 0.77
HDAC7 Q8WUI4 9/20 0.77
HDAC2 Q92769 9/20 0.77
HDAC10 Q969S8 9/20 0.77
HDAC11 Q96DB2 9/20 0.77
HDAC8 Q9BY41 9/20 0.77
HDAC6 Q9UBN7 9/20 0.77
HDAC9 Q9UKV0 9/20 0.77
HDAC5 Q9UQL6 9/20 0.77
NPC1 O15118 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 1/20 0.53
GAA P10253 2/20 0.52

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
SCHEMBL8470941 0.93 HDAC1 (0.73) HDAC1ABL1PDGFRBKDRHDAC3
Water SCHEMBL4092234 0.92 HDAC1 (0.72) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL8474507 0.89 ABL1 (0.78) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL4077744 0.86 ABL1 (0.75) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL4090557 0.86 ABL1 (0.57) HDAC1ABL1PDGFRBKDRHDAC3
Water SCHEMBL3810741 0.83 NPC1 (0.63) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL6520385 0.82 ABL1 (0.75) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL4090805 0.81 ABL1 (0.71) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL4081271 0.81 NPC1 (0.56) HDAC1ABL1PDGFRBKDRHDAC3
SCHEMBL4086283 0.81 NPC1 (0.74) HDAC1ABL1PDGFRBKDRHDAC3

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 5 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
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
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
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 HDAC1 1/4885ABL1 783/4885PDGFRB 2334/4885

“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.