SCHEMBL6461029

SCHEMBL6461029

Oc1cc(OCc2ccccc2)ccc1-c1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALPL P05186 1/20 0.52
PKM P14618 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 5/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL7048002 0.93 SMN1; SMN2 (0.50) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6454364 0.90 MAPT (0.51) TDP1RAB9AL3MBTL1PKMMAPK1
SCHEMBL6448806 0.88 MAPT (0.48) SMN1; SMN2TDP1RAB9AMAPK1KDM4E
SCHEMBL6449741 0.86 MAPT (0.46) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL6450451 0.85 NPC1 (0.56) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6452129 0.83 MAPT (0.45) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6450788 0.83 MAPT (0.45) TDP1MAPK1KDM4ELMNAMAPT
SCHEMBL6449908 0.82 MAPT (0.45) TDP1MAPK1KDM4EMAPTNPSR1
SCHEMBL6457001 0.81 MAPT (0.45) TDP1MAPK1KDM4ELMNAMAPT
SCHEMBL6450113 0.80 MAPT (0.43) TDP1MAPK1KDM4EMAPTNPSR1

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 4633/4885TDP1 4550/4885NPC1 59/4885

“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.