SCHEMBL6450816

SCHEMBL6450816

Oc1ccc2ccccc2c1-c1nc(-c2ncccc2Br)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.40
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 6/20 0.40
TP53 P04637 6/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 4/20 0.40
S1PR1 P21453 1/20 0.39
RAB9A P51151 6/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 3/20 0.37
PKM P14618 3/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KLF5 Q13887 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL6453045 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6449975 0.85 S1PR1 (0.50) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6452382 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6451316 0.81 MAPT (0.43) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6450866 0.81 POLB (0.38) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6451167 0.80 TP53 (0.63) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6450097 0.76 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL7052963 0.71 NPC1 (0.53) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6454178 0.71 CYP19A1 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL7153774 0.70 S1PR1 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1NPC1

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 4633/4885MAPT 2805/4885KDM4E 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.