SCHEMBL1779097

SCHEMBL1779097

O=C(C=Cc1ccc([C@@H]2CCCN2CCn2ccc(C(F)(F)F)n2)cc1)NO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.55
▸ KCNH2 Q12809 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC8 Q9BY41 5/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.40
▸ HDAC3 O15379 4/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC4 P56524 2/20 0.38
▸ KDM1A O60341 2/20 0.35
▸ MEF2D Q14814 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL1779096 1.00 HDAC1 (0.55) HDAC1KCNH2KDM4EALDH1A1HDAC8
SCHEMBL1779093 1.00 HDAC1 (0.55) HDAC1KCNH2KDM4EALDH1A1HDAC8
SCHEMBL1780097 0.89 HDAC1 (0.46) HDAC1KCNH2KDM4EALDH1A1HDAC8
SCHEMBL3432931 0.89 HDAC1 (0.46) HDAC1KCNH2KDM4EALDH1A1HDAC8
SCHEMBL1780098 0.89 HDAC1 (0.46) HDAC1KCNH2KDM4EALDH1A1HDAC8
SCHEMBL1780100 0.89 HDAC1 (0.46) HDAC1KCNH2KDM4EALDH1A1HDAC8
SCHEMBL1777279 0.86 HDAC1 (0.62) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL1777282 0.86 HDAC1 (0.62) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL1777283 0.86 HDAC1 (0.62) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL1780069 0.86 HDAC1 (0.62) HDAC1KCNH2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 — — EP claimed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 — — EP claimed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 — — US claimed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 — — US claimed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 — — US claimed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 — — US claimed
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 — — EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 — — EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 — — US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 — — US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 — — US disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 — — 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 (2 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885KDM4E 305/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885KDM4E 305/4885

“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.

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