SCHEMBL2840110

SCHEMBL2840110

O=C(OCc1ccccc1)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1C[C@](O)(COc2ccc(N4C[C@H](Cn5cncn5)OC4=O)cc2F)C[C@H]1CO3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.31
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
HDAC4 P56524 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
HDAC1 Q13547 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
TUBA1C Q9BQE3 3/20 0.31
TUBB6 Q9BUF5 3/20 0.31

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
SCHEMBL3062421 0.93 HDAC3 (0.32) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL3062417 0.93 HDAC3 (0.32) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL2837807 0.92 KCNH2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2845413 0.92 HDAC3 (0.32) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL2844861 0.91 MAOA (0.38)
SCHEMBL2842826 0.91 MAOA (0.38)
SCHEMBL2849386 0.91 MAOA (0.38)
SCHEMBL2842877 0.91 MAOA (0.38)
SCHEMBL2841087 0.91 MAOA (0.38)
SCHEMBL2841906 0.91 MAOA (0.38)

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
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 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-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 HDAC3 1473/4885TUBB4A 2130/4885TUBB 2013/4885

“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.