SCHEMBL1780265

SCHEMBL1780265

CCn1nc(C)c(CCN2CCCC2c2ccc(C=CC(=O)OC)cc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.57
KCNH2 Q12809 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM1A O60341 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC5A7 Q9GZV3 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TYR P14679 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL1780268 1.00 HDAC1 (0.57) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL1780264 1.00 HDAC1 (0.57) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL3429525 1.00 HDAC1 (0.57) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL1781734 0.93 HDAC1 (0.55) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL1781736 0.93 HDAC1 (0.55) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL1781733 0.93 HDAC1 (0.55) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL3428574 0.93 HDAC1 (0.55) HDAC1KCNH2SMN1; SMN2LMNAHTT
SCHEMBL1780644 0.91 HDAC1 (0.55) HDAC1KCNH2HTTOPRM1OPRK1
SCHEMBL3431522 0.91 HDAC1 (0.55) HDAC1KCNH2HTTOPRM1OPRK1
SCHEMBL1780646 0.91 HDAC1 (0.55) HDAC1KCNH2HTTOPRM1OPRK1

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 2802/4885SMN1; SMN2 2757/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885SMN1; SMN2 2757/4885

“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.