SCHEMBL6449004

SCHEMBL6449004

Oc1ccccc1-c1ccn(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.50
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTOR P42345 2/20 0.39
MAPK10 P53779 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
RPTOR Q8N122 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
IDO1 P14902 1/20 0.37
MAP2K1 Q02750 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6449954 0.84 GRM5 (0.46) GRM5BCHEACHEBACE1ALDH1A1
SCHEMBL6448695 0.82 MAPT (0.50) GRM5CYP19A1ALDH1A1HPGDALOX15
SCHEMBL6449917 0.81 MAPT (0.50) GRM5CYP19A1ALDH1A1HPGDALOX15
SCHEMBL7049088 0.81 GRM5 (0.45) GRM5ACHEBACE1ALDH1A1HPGD
SCHEMBL3463942 0.80 GRM5 (0.55) GRM5ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6448665 0.79 PDCD1 (0.51) GRM5BCHEACHEBACE1CYP19A1
SCHEMBL30794613 0.79 GRM5 (0.59) GRM5ALDH1A1MTORMAPK10NPC1
Bromide SCHEMBL6161656 0.78 GRM5 (0.54) GRM5ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9383460 0.78 GRM5 (0.65) GRM5ALDH1A1HPGDHSD17B10MTOR
SCHEMBL8086526 0.78 GRM5 (0.46) GRM5MTORALKBH2EGLN1RPTOR

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 GRM5 4040/4885BCHE 773/4885ACHE 2052/4885

“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.