SCHEMBL5355989

SCHEMBL5355989

O=C(CCCCCBr)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.73
HDAC1 Q13547 2/20 0.73
HDAC7 Q8WUI4 2/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC10 Q969S8 2/20 0.73
HDAC11 Q96DB2 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC5 Q9UQL6 2/20 0.73
HDAC4 P56524 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73
EPHX2 P34913 8/20 0.71
GBA1 P04062 5/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
FAAH O00519 1/20 0.52
UGCG Q16739 2/20 0.50
GBA2 Q9HCG7 2/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL17293731 1.00 HDAC3 (0.73) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL20985682 0.96 HDAC3 (0.72) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL4862054 0.87 HDAC3 (0.64) HDAC3HDAC1HDAC7HDAC2HDAC10
Hydrochloric Acid SCHEMBL10401672 0.86 HDAC3 (0.62) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL8296332 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL1364561 0.83 EPHX2 (0.71) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL15779858 0.83 EPHX2 (0.76) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL27592378 0.83 EPHX2 (1.00) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL12931877 0.83 EPHX2 (1.00) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL5477403 0.83 HDAC3 (0.73) HDAC3HDAC1HDAC7HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
EP-1181294-B1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AG (AT) 2004-03-31 EP disclosed
US-20030199493-A1 Novel derivatives and analogues of galanthamin SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2003-10-23 US disclosed
EP-1181294-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2002-02-27 EP disclosed
WO-2001074820-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2001-10-11 WO 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-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 HDAC3 1016/4885HDAC1 1075/4885HDAC7 1615/4885
US-20030199493-A1 Novel derivatives and analogues of galanthamin GALR1, GALNT1, GALK1 HDAC3 1432/4885HDAC1 1465/4885HDAC7 2009/4885

“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.