SCHEMBL4046802

SCHEMBL4046802

O=c1[c]c(Br)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 5/20 0.54
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
MAPT P10636 2/20 0.54
PAX8 Q06710 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MITF O75030 1/20 0.46
S1PR4 O95977 1/20 0.46
THRB P10828 1/20 0.46
XBP1 P17861 1/20 0.46
S1PR1 P21453 1/20 0.46
HIF1A Q16665 1/20 0.45
CA9 Q16790 1/20 0.44
MAPK14 Q16539 1/20 0.43
KMT2A Q03164 4/20 0.42
POLB P06746 3/20 0.42

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
SCHEMBL6901757 0.70 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL4743412 0.70 RAB9A (1.00) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5842939 0.68 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL27619397 0.68 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL134480 0.68 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5446722 0.67 NPC1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5067628 0.66 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL9026724 0.65 RAB9A (0.49) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15954176 0.65 POLB (0.47) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1816086 0.65 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP disclosed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 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 (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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT NPC1 2070/4885RAB9A 4278/4885ALDH1A1 720/4885

“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.