SCHEMBL3395176

SCHEMBL3395176

CCCCC(C)Nc1ccccc1NC(C)CCCC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CACNA2D1 P54289 6/20 0.39
RPS6KB1 P23443 1/20 0.39
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 4/20 0.37

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
SCHEMBL11524920 0.94 IDO1 (0.43) IDO1L3MBTL1MAPK1CACNA2D1CNR2
SCHEMBL11527742 0.92 ADH1B (0.44) IDO1L3MBTL1MAPK1CACNA2D1CNR2
SCHEMBL11526271 0.92 ADH1B (0.44) IDO1L3MBTL1MAPK1CACNA2D1CNR2
SCHEMBL10597073 0.92 ADH1B (0.44) IDO1L3MBTL1MAPK1CACNA2D1CNR2
SCHEMBL11342721 0.88 KCNH3 (0.45) IDO1POLBL3MBTL1MAPK1CACNA2D1
SCHEMBL23770556 0.87 IDO1 (0.42) IDO1POLBL3MBTL1MAPK1CACNA2D1
SCHEMBL4229486 0.87 IDO1 (0.42) IDO1POLBL3MBTL1RPS6KB1CNR2
SCHEMBL21799625 0.87 IDO1 (0.42) IDO1POLBL3MBTL1MAPK1CACNA2D1
SCHEMBL17467884 0.87 POLB (0.46) IDO1POLBL3MBTL1MAPK1RPS6KB1
SCHEMBL11277416 0.87 SMN1; SMN2 (0.47) POLBL3MBTL1MAPK1SMN1; SMN2

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-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
US-4337103-A FUNCTIONALLY TERMINATED RUBBER HERCULES INCORPORATED (US) 1982-06-29 US disclosed
US-4140718-A Preparation of N,N'-dialkylphenylenediamines UOP INC. (US) 1979-02-20 US disclosed
US-3982975-A UNCURED CARBOXYLATED RUBBER, EPOXIDE CURING AGENT, PHENYLENEDIAMINE ANTIOXIDANT HERCULES INCORPORATED (US) 1976-09-28 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 IDO1 262/4885POLB 393/4885L3MBTL1 2215/4885

“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.