SCHEMBL5199018

SCHEMBL5199018

Brc1ccc2nc(-c3ccccc3)cnc2c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.66
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 3/20 0.60
PDGFRB P09619 1/20 0.60
KDR P35968 1/20 0.60
FLT3 P36888 1/20 0.60
ALDH1A1 P00352 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
RXFP1 Q9HBX9 1/20 0.49
BCHE P06276 1/20 0.49
PTGES O14684 1/20 0.47
MAPK1 P28482 1/20 0.46
BIRC5 O15392 1/20 0.45

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
SCHEMBL5225670 0.93 NPC1 (0.60) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL7600391 0.89 TLR9 (0.51) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL7601150 0.82 NPC1 (0.47) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL30882145 0.82 TLR9 (0.70) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL22661774 0.82 TLR9 (0.70) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL20928216 0.81 BCHE (0.53) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL973317 0.80 NPC1 (0.68) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL30786723 0.80 NPC1 (0.68) TLR9NPC1SMN1; SMN2RAB9APDGFRB
SCHEMBL7202685 0.79 NPC1 (0.66) TLR9NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL16687607 0.79 NPC1 (0.70) TLR9NPC1SMN1; SMN2RAB9APDGFRB

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
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 TLR9 3069/4885NPC1 153/4885SMN1; SMN2 2173/4885

“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.