SCHEMBL1865256

SCHEMBL1865256

CCCCCCC(=O)Nc1cc(-c2ccccc2)nn1C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 8/20 0.77
SOAT2 O75908 6/20 0.77
ADORA1 P30542 3/20 0.56
MAPT P10636 6/20 0.53
POLB P06746 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
RAB9A P51151 1/20 0.52
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL13678994 0.92 SOAT1 (0.65) SOAT1SOAT2ADORA1MAPTPOLB
SCHEMBL1869316 0.89 SOAT2 (0.61) SOAT1SOAT2ADORA1MAPTPOLB
SCHEMBL13772488 0.89 SOAT2 (0.62) SOAT1SOAT2ADORA1MAPTPOLB
SCHEMBL16171342 0.87 SOAT2 (1.00) SOAT1SOAT2MAPTPOLBNPSR1
SCHEMBL19448012 0.87 SOAT2 (1.00) SOAT1SOAT2MAPTPOLBNPSR1
SCHEMBL16171341 0.87 SOAT2 (1.00) SOAT1SOAT2MAPTPOLBNPSR1
SCHEMBL13772482 0.85 SOAT2 (0.57) SOAT1SOAT2ADORA1MAPTPOLB
SCHEMBL4148506 0.83 MAPT (0.57) SOAT1SOAT2MAPTPOLBRAB9A
SCHEMBL4148523 0.83 MAPT (0.57) SOAT1SOAT2MAPTPOLBRAB9A
SCHEMBL4139737 0.83 MAPT (0.57) SOAT1SOAT2MAPTPOLBRAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080194607-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-14 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188535-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188535-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188491-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 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 (10 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-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 561/4885SOAT2 693/4885ADORA1 834/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 566/4885SOAT2 715/4885ADORA1 859/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 566/4885SOAT2 715/4885ADORA1 859/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 566/4885SOAT2 715/4885ADORA1 859/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 SOAT1 560/4885SOAT2 714/4885ADORA1 870/4885
US-20080188491-A1 Modulation of pathogenicity NR4A1, MSR1, NR4A2 SOAT1 395/4885SOAT2 494/4885ADORA1 1165/4885
US-20080194607-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 566/4885SOAT2 715/4885ADORA1 859/4885
US-20080188535-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 566/4885SOAT2 715/4885ADORA1 859/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 566/4885SOAT2 715/4885ADORA1 859/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SOAT1 470/4885SOAT2 711/4885ADORA1 731/4885

“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.