SCHEMBL1780105

SCHEMBL1780105

COC(=O)/C=C/c1ccc([C@@H]2CCCN2CCn2cccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.51
KCNH2 Q12809 1/20 0.45
KDM1A O60341 2/20 0.40
GFER P55789 1/20 0.40
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
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRD1 P41143 1/20 0.35
MAPT P10636 1/20 0.35
NR1H4 Q96RI1 2/20 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
SCHEMBL3432769 1.00 HDAC1 (0.51) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL1780109 1.00 HDAC1 (0.51) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL1780108 1.00 HDAC1 (0.51) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL1779550 0.94 HDAC1 (0.50) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL1779549 0.94 HDAC1 (0.50) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL3432120 0.94 HDAC1 (0.50) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL1779551 0.94 HDAC1 (0.50) HDAC1KCNH2KDM1AGFERHTT
SCHEMBL1779868 0.88 HDAC1 (0.65) HDAC1KCNH2KDM1AALDH1A1GAA
SCHEMBL15190478 0.88 HDAC1 (0.65) HDAC1KCNH2KDM1AALDH1A1GAA
SCHEMBL1779866 0.88 HDAC1 (0.65) HDAC1KCNH2KDM1AALDH1A1GAA

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 2802/4885KDM1A 39/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885KDM1A 39/4885

“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.