SCHEMBL4433928

SCHEMBL4433928

Fc1cccc(C(Br)c2cccc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ACHE P22303 1/20 0.42
NFE2L2 Q16236 1/20 0.41
AOC3 Q16853 1/20 0.41
CNR2 P34972 1/20 0.39

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
SCHEMBL7519538 0.93 IDO1 (0.52) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL723341 0.85 HDAC4 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL3808194 0.83 HDAC4 (0.46) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL6204304 0.83 HDAC4 (0.50) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL2253545 0.81 CES2 (0.52) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30076024 0.81 ACHE (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL508509 0.81 ACHE (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL4975530 0.81 ACHE (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL4078129 0.79 HDAC4 (0.50) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL5081059 0.78 HDAC4 (0.50) HDAC4HDAC7HDAC5IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 HDAC4 4521/4885HDAC7 4472/4885HDAC5 4225/4885
US-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR HDAC4 1926/4885HDAC7 1168/4885HDAC5 1740/4885

“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.