SCHEMBL6450253

SCHEMBL6450253

Cc1cccnc1-c1noc(-c2cccc3ccccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.63
NPC1 O15118 9/20 0.63
KDM4E B2RXH2 7/20 0.63
HPGD P15428 6/20 0.63
ALDH1A1 P00352 6/20 0.63
MAPT P10636 6/20 0.63
HSD17B10 Q99714 5/20 0.63
TP53 P04637 5/20 0.63
MAPK1 P28482 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 9/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 4/20 0.53
PKM P14618 3/20 0.53

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
SCHEMBL6448845 0.83 KDM4E (0.65) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL6448673 0.82 NPC1 (0.51) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL6452535 0.82 CASP3 (0.60) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL21033797 0.81 ALDH1A1 (0.50) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL6454344 0.81 MAPT (0.59) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL6453045 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL6450875 0.79 MAPT (0.56) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL7049815 0.78 MAPT (0.48) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL28133798 0.77 SMN1; SMN2 (0.77) SMN1; SMN2NPC1KDM4EHPGDALDH1A1
SCHEMBL6450074 0.77 KDM4E (0.47) SMN1; SMN2NPC1KDM4EHPGDALDH1A1

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 59/4885KDM4E 3106/4885

“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.