SCHEMBL6450889

SCHEMBL6450889

Oc1ccc2ccccc2c1-c1nc(-c2ncccn2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALPL P05186 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6453905 0.87 SMN1; SMN2 (0.61) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6450544 0.85 NPC1 (0.40) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6450866 0.83 POLB (0.38) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6454189 0.83 SMN1; SMN2 (0.39) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6454319 0.83 METAP2 (0.38) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6451403 0.81 L3MBTL1 (0.43) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6448386 0.81 F2 (0.43) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6449942 0.80 MEN1 (0.40) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6449128 0.78 MAPT (0.43) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A
SCHEMBL6454147 0.77 MEN1 (0.41) NPC1SMN1; SMN2L3MBTL1TDP1RAB9A

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 NPC1 59/4885SMN1; SMN2 4633/4885L3MBTL1 4366/4885

“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.