SCHEMBL4077638

SCHEMBL4077638

O=C(C=Cc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccnc4)cs3)c2)s1)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.76
PDGFRB P09619 7/20 0.76
HDAC4 P56524 7/20 0.76
HDAC3 O15379 6/20 0.76
KDR P35968 6/20 0.76
HDAC1 Q13547 6/20 0.76
HDAC7 Q8WUI4 6/20 0.76
HDAC2 Q92769 6/20 0.76
HDAC10 Q969S8 6/20 0.76
HDAC11 Q96DB2 6/20 0.76
HDAC8 Q9BY41 6/20 0.76
HDAC6 Q9UBN7 6/20 0.76
HDAC9 Q9UKV0 6/20 0.76
HDAC5 Q9UQL6 6/20 0.76
BCR P11274 1/20 0.58
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
PKM P14618 2/20 0.54

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
SCHEMBL4077634 1.00 ABL1 (0.76) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4082778 0.88 ABL1 (0.78) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4082784 0.88 ABL1 (0.78) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL6524191 0.88 ABL1 (0.59) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL6524198 0.88 ABL1 (0.59) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4087575 0.85 ABL1 (0.78) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4087570 0.85 ABL1 (0.78) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4080309 0.83 ABL1 (0.54) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4080315 0.83 ABL1 (0.54) ABL1PDGFRBHDAC4HDAC3KDR
SCHEMBL4090805 0.80 ABL1 (0.71) ABL1PDGFRBHDAC4HDAC3KDR

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 2334/4885HDAC4 17/4885

“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.