SCHEMBL6448976

SCHEMBL6448976

Brc1ccccc1-c1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
TDP1 Q9NUW8 5/20 0.69
L3MBTL1 Q9Y468 4/20 0.69
ALOX15 P16050 3/20 0.69
ALPL P05186 2/20 0.69
PKM P14618 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NR1H2 P55055 2/20 0.63
NR1H3 Q13133 2/20 0.63
DCUN1D1 Q96GG9 2/20 0.53
KDM4E B2RXH2 7/20 0.52
LMNA P02545 3/20 0.48
NOTUM Q6P988 1/20 0.47
TP53 P04637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 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
SCHEMBL8311588 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6451923 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6451131 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL5959950 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6448592 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6453198 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6450049 0.79 NR1H2 (0.60) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6452719 0.79 RAB9A (0.69) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6452734 0.78 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6448771 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1

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.