SCHEMBL8220320

SCHEMBL8220320

CCOc1ccc(-c2nnn(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 1/20 0.60
NFKB1 P19838 1/20 0.60
RAB9A P51151 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
XDH P47989 1/20 0.50
USP2 O75604 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.48
NQO1 P15559 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL13947016 0.83 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL4503625 0.81 NPC1 (0.55) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5192240 0.81 LTA4H (0.64) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8807192 0.80 MAOB (0.70) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13863808 0.80 NPC1 (0.63) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL10917113 0.78 SMN1; SMN2 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13846211 0.77 KMT2A (0.60) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL12896173 0.77 NPC1 (0.50) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13171346 0.76 NPC1 (1.00) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13846113 0.75 NPC1 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 SMN1; SMN2 3683/4885NPC1 314/4885NFKB1 1422/4885

“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.