SCHEMBL1322977

SCHEMBL1322977

CNC(=O)c1ccc(-c2ccc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cncc(C(=O)c3ccc(F)cc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.36
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
NCOR2 Q9Y618 4/20 0.35
MCHR1 Q99705 6/20 0.34
DYRK1A Q13627 2/20 0.34
HTR2C P28335 3/20 0.34
ELANE P08246 4/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33

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
SCHEMBL1322982 1.00 HDAC6 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12122004 1.00 HDAC6 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL380276 0.96 ELANE (0.35) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL380277 0.96 ELANE (0.35) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12122067 0.96 ELANE (0.35) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12122045 0.92 ELANE (0.35) ELANE
SCHEMBL1323934 0.92 ELANE (0.35) ELANE
SCHEMBL1323932 0.92 ELANE (0.35) ELANE
SCHEMBL1324446 0.92 MAPT (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1324444 0.92 MAPT (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US claimed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
CN-101595093-A Organic compound NOVARTIS AG (CH) 2009-12-02 CN claimed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO claimed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 HDAC6 895/4885HDAC3 1359/4885HDAC4 2705/4885

“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.