SCHEMBL6448845

SCHEMBL6448845

c1ccc2c(-c3nc(-c4nccc5ccccc45)no3)cccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.65
MAPT P10636 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
HPGD P15428 5/20 0.65
HSD17B10 Q99714 4/20 0.65
NPC1 O15118 4/20 0.65
MAPK1 P28482 3/20 0.65
TP53 P04637 2/20 0.65
L3MBTL1 Q9Y468 3/20 0.63
TSHR P16473 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 4/20 0.62
LMNA P02545 1/20 0.62
S1PR1 P21453 2/20 0.54
GAA P10253 2/20 0.44

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
SCHEMBL6450253 0.83 SMN1; SMN2 (0.63) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28133798 0.82 SMN1; SMN2 (0.77) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6454839 0.81 S1PR1 (0.52) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6454344 0.80 MAPT (0.59) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6449624 0.80 S1PR1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4193214 0.79 SMN1; SMN2 (1.00) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL158912 0.78 BCHE (0.58) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL29986041 0.78 BCHE (0.58) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL7153774 0.78 S1PR1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6448752 0.78 S1PR1 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2HPGD

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 KDM4E 3106/4885ALDH1A1 287/4885MAPT 2805/4885

“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.