SCHEMBL6449767

SCHEMBL6449767

Brc1cccc(-c2nc(-c3ccccn3)n[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
HTT P42858 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
MEN1 O00255 1/20 0.65
MAPT P10636 1/20 0.65
TSHR P16473 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
PKM P14618 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
ALPL P05186 1/20 0.63
GRM5 P41594 2/20 0.59
DCUN1D1 Q96GG9 2/20 0.54
KDM4E B2RXH2 3/20 0.52
NOTUM Q6P988 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
SCHEMBL6452719 0.84 RAB9A (0.69) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4188195 0.83 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4186276 0.83 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL6449953 0.81 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL6450315 0.80 NR1H2 (0.67) SMN1; SMN2NPC1RAB9AHTTTDP1
SCHEMBL7049857 0.80 NPC1 (0.53) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL8311588 0.78 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTHPGD
SCHEMBL6452160 0.78 RAB9A (0.62) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL18292526 0.78 L3MBTL1 (0.77) SMN1; SMN2NPC1RAB9AALDH1A1TDP1
SCHEMBL31565161 0.78 SMN1; SMN2 (0.82) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC SMN1; SMN2 4633/4885NPC1 59/4885RAB9A 2483/4885

“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.