SCHEMBL1176535

SCHEMBL1176535

O=C1NC2(CCN(Cc3ccccc3)CC2)Nc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 7/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNA7 P36544 1/20 0.44
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41

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
Hydrochloric Acid SCHEMBL2479570 0.84 KDM4E (0.65) KDM4EGLAALDH1A1LMNAHTT
SCHEMBL1176548 0.80 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176549 0.80 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175151 0.79 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175156 0.79 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19235307 0.75 IP6K1 (0.49) KDM4EALDH1A1LMNAHTTCHRNA7
SCHEMBL551718 0.74 TGM2 (0.46) KDM4EGLAALDH1A1MAPTMEN1
SCHEMBL1176209 0.74 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176207 0.74 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21904386 0.72 OPRM1 (0.45) KDM4EALDH1A1CHRNA7MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115148-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2015-08-25 US disclosed
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2014-03-20 US disclosed
US-8592444-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2013-11-26 US disclosed
EP-2279187-B9 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-12-12 EP disclosed
EP-2279187-B1 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-04-25 EP disclosed
US-20110039840-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2011-02-17 US disclosed
EP-2279187-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2011-02-02 EP disclosed
WO-2009127609-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-10-22 WO disclosed
EP-2110377-A1 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.r.l. (IT) 2009-10-21 EP 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-20110039840-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 KDM4E 472/4885GLA 1884/4885ALDH1A1 1745/4885
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 KDM4E 472/4885GLA 1884/4885ALDH1A1 1745/4885

“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.