SCHEMBL3477639

SCHEMBL3477639

Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.57
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
TP53 P04637 8/20 0.57
HSD17B10 Q99714 5/20 0.57
PKM P14618 5/20 0.57
POLB P06746 4/20 0.57
CCR1 P32246 3/20 0.49
CCR5 P51681 3/20 0.49
CCR8 P51685 3/20 0.49
KDM4E B2RXH2 7/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX15 P16050 2/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47

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
SCHEMBL5224048 0.81 NPC1 (0.64) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL4951059 0.77 KDM4E (0.70) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL12925673 0.75 KDM4E (0.67) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL22761406 0.75 KDM4E (0.67) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL30781630 0.75 CCR1 (0.56) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL3477187 0.74 KDM4E (0.59) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL2138914 0.74 CCR1 (0.64) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL13311187 0.74 CCR1 (0.64) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL12925692 0.74 KDM4E (0.78) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL10031167 0.74 CCR1 (0.64) SMN1; SMN2NPC1RAB9ATP53HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658282-B1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2010-10-27 EP disclosed
EP-1658282-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2006-05-24 EP disclosed
US-20050084451-A1 Novel chelating agents and chelates and their use WALLAC OY 2005-04-21 US disclosed
WO-2005021538-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2005-03-10 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-20050084451-A1 Novel chelating agents and chelates and their use DNPEP, CNBP, CLTA SMN1; SMN2 3630/4885NPC1 3168/4885RAB9A 4440/4885

“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.