SCHEMBL8233246

SCHEMBL8233246

Nc1nnc(-c2ccc(Br)cn2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.58
CA2 P00918 1/20 0.55
NOTUM Q6P988 3/20 0.43
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 4/20 0.35
PIM3 Q86V86 3/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL930672 0.79 CA2 (0.51) DGAT1CA2NOTUMKDM4EHSD17B10
SCHEMBL27007846 0.79 CA2 (0.71) DGAT1CA2KDM4EHSD17B10NPC1
SCHEMBL930697 0.75 CA2 (0.48) CA2NOTUMKDM4ENPC1RAB9A
SCHEMBL26096784 0.74 DGAT1 (0.51) DGAT1NOTUMKDM4EHSD17B10NPC1
SCHEMBL15718167 0.73 DGAT1 (1.00) DGAT1NOTUMKDM4EHSD17B10NPC1
SCHEMBL930734 0.71 CA2 (0.45) CA2KDM4EHSD17B10NPC1RAB9A
SCHEMBL8237403 0.71 KDM4E (0.50) CA2KDM4EHSD17B10NPC1RAB9A
SCHEMBL40864 0.71 KDM4E (0.46) CA2KDM4ENPC1RAB9AKMT2A
SCHEMBL2160834 0.70 NOTUM (0.55) DGAT1NOTUMKDM4EHSD17B10NPC1
SCHEMBL5121195 0.69 CA2 (0.46) CA2NPC1RAB9AKMT2AL3MBTL1

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
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
WO-2007084451-A1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 DGAT1 689/4885CA2 538/4885NOTUM 871/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 DGAT1 689/4885CA2 538/4885NOTUM 871/4885

“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.