SCHEMBL3399269

SCHEMBL3399269

C=Cc1c(C2CCCCC2)cc(N)c(C2CCCCC2)c1N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL3397779 0.98 TDO2 (0.32) TDO2
SCHEMBL3423485 0.81 TDO2 (0.32) TDO2
SCHEMBL3400177 0.81 CHEK1 (0.34)
SCHEMBL3426016 0.80 TDO2 (0.31) TDO2
SCHEMBL3427143 0.79 TDO2 (0.30) TDO2
SCHEMBL3399647 0.79 CHEK1 (0.33)
SCHEMBL3396928 0.78
SCHEMBL3427050 0.77
SCHEMBL3400335 0.76 TDO2 (0.37) TDO2
SCHEMBL1498833 0.75 TDO2 (0.39) TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 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 (1 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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 TDO2 52/4885HDAC3 2378/4885HDAC1 2886/4885

“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.