SCHEMBL6450812

SCHEMBL6450812

CC(C)c1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
ALOX15 P16050 2/20 0.63
ALPL P05186 1/20 0.63
PKM P14618 1/20 0.63
HSD17B10 Q99714 1/20 0.63
NOTUM Q6P988 1/20 0.56
KDM4E B2RXH2 3/20 0.52
TGFBR1 P36897 1/20 0.47
NR1H2 P55055 4/20 0.46
NR1H3 Q13133 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 3/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL6452719 0.81 RAB9A (0.69) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL29793834 0.81 L3MBTL1 (0.77) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL18292526 0.81 L3MBTL1 (0.77) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL6450652 0.81 NR1H2 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL8311588 0.78 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL6450439 0.78 TRPV1 (0.49) SMN1; SMN2NPC1RAB9ANOTUMNR1H2
SCHEMBL9110785 0.78 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL6449670 0.77 NR1H2 (0.43) SMN1; SMN2NPC1RAB9ANOTUMNR1H2
SCHEMBL29925695 0.77 TGFBR1 (0.56) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL1102440 0.77 TGFBR1 (0.56) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1

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.