SCHEMBL777891

SCHEMBL777891

Clc1nc(N2CCNCC2)nc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PIK3CA P42336 3/20 0.48
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CETP P11597 2/20 0.46
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.44
CASP1 P29466 1/20 0.43

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 SCHEMBL30475189 0.98 POLB (0.54) HRH1POLBSMN1; SMN2USP2TDP1
Hydrochloric Acid SCHEMBL28628717 0.98 POLB (0.54) HRH1POLBSMN1; SMN2USP2TDP1
SCHEMBL778162 0.91 HRH1 (0.65) HRH1POLBSMN1; SMN2USP2TDP1
SCHEMBL778143 0.91 HRH1 (0.65) HRH1POLBSMN1; SMN2USP2TDP1
SCHEMBL1308905 0.89 MAPT (0.61) POLBSMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL38827 0.85 MAPT (0.57) POLBSMN1; SMN2MAPTL3MBTL1PIK3CA
SCHEMBL5712191 0.85 HRH1 (0.61) HRH1POLBSMN1; SMN2USP2TDP1
SCHEMBL28998051 0.83 ALDH1A1 (0.59) HRH1SMN1; SMN2USP2TDP1MAPT
SCHEMBL778170 0.82 HRH1 (0.55) HRH1POLBSMN1; SMN2USP2TDP1
SCHEMBL777894 0.82 HRH1 (0.55) HRH1POLBSMN1; SMN2USP2TDP1

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
CN-109810100-B Benzofuran-containing PARP-1 and PI3K dual-target inhibitors 中国药科大学 2022-03-11 CN disclosed
US-20150057395-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2015-02-26 US disclosed
US-20140011923-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2014-01-09 US disclosed
US-20120245291-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2012-09-27 US disclosed
US-8202924-B2 Polytriazinyl compounds as flame retardants and light stabilizers MCA TECHNOLOGIES GMBH (CH) 2012-06-19 US disclosed
US-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS MCA TECHNOLOGIES GMBH (CH) 2012-03-22 US disclosed
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2009-11-12 US disclosed
US-5948837-A MIXTURE OF ORGANONITROGEN COMPOUND, PHOSPHOROUS PENTAOXIDE AND WATER MONTELL NORTH AMERICA INC. (US) 1999-09-07 US disclosed
EP-0849260-A1 Process for the production of flame retarding additives for polymer compositions, and products thereof Montell North America Inc. (US) 1998-06-24 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-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS PCBP1, PBRM1, TAF5 HRH1 1974/4885POLB 497/4885SMN1; SMN2 2588/4885
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers PSMB5, POLL, F12 HRH1 252/4885POLB 300/4885SMN1; SMN2 1885/4885

“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.