Sugi Predict

Sugi Predict / Compounds / SCHEMBL380276

SCHEMBL380276

SCHEMBL380276

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ NTRK1 P04629 3/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ BIRC2 Q13490 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
SCHEMBL380277 1.00 ELANE (0.35) ELANEHDAC6NTRK1HDAC3HDAC4
SCHEMBL12122067 1.00 ELANE (0.35) ELANEHDAC6NTRK1HDAC3HDAC4
SCHEMBL1322982 0.96 HDAC6 (0.36) ELANEHDAC6HDAC3HDAC4HDAC1
SCHEMBL1324444 0.96 MAPT (0.38) ELANEHDAC6NTRK1HDAC3HDAC4
SCHEMBL1324446 0.96 MAPT (0.38) ELANEHDAC6NTRK1HDAC3HDAC4
SCHEMBL1322977 0.96 HDAC6 (0.36) ELANEHDAC6HDAC3HDAC4HDAC1
SCHEMBL12122066 0.96 MAPT (0.38) ELANEHDAC6NTRK1HDAC3HDAC4
SCHEMBL12122004 0.96 HDAC6 (0.36) ELANEHDAC6HDAC3HDAC4HDAC1
SCHEMBL1324375 0.96 ELANE (0.37) ELANENTRK1
SCHEMBL381915 0.96 ELANE (0.40) ELANEHDAC6BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 — — EP claimed
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
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 — — EP disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 — — US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 — — US disclosed
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
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 — — 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 ELANE 2481/4885HDAC6 895/4885NTRK1 4030/4885

“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.