SCHEMBL1780445

SCHEMBL1780445

COC(=O)/C=C/c1ccc([C@@H]2CCCN2CCn2ccc(C)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.50
▸ KCNH2 Q12809 1/20 0.45
▸ HTT P42858 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ ATM Q13315 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL1780449 1.00 HDAC1 (0.50) HDAC1KCNH2HTTCA12CA1
SCHEMBL3432137 1.00 HDAC1 (0.50) HDAC1KCNH2HTTCA12CA1
SCHEMBL1780451 1.00 HDAC1 (0.50) HDAC1KCNH2HTTCA12CA1
SCHEMBL1777283 0.89 HDAC1 (0.62) HDAC1KCNH2KDM1AHDAC8HDAC6
SCHEMBL1780069 0.89 HDAC1 (0.62) HDAC1KCNH2KDM1AHDAC8HDAC6
SCHEMBL1777279 0.89 HDAC1 (0.62) HDAC1KCNH2KDM1AHDAC8HDAC6
SCHEMBL1777282 0.89 HDAC1 (0.62) HDAC1KCNH2KDM1AHDAC8HDAC6
SCHEMBL1780100 0.87 HDAC1 (0.46) HDAC1KCNH2HTTCA12CA1
SCHEMBL1780097 0.87 HDAC1 (0.46) HDAC1KCNH2HTTCA12CA1
SCHEMBL3432931 0.87 HDAC1 (0.46) HDAC1KCNH2HTTCA12CA1

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 6 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 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 2802/4885HTT 1121/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885HTT 1121/4885

“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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