SCHEMBL6450194

SCHEMBL6450194

Oc1ccc(Br)cc1-c1nc[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
HPGD P15428 6/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GFER P55789 2/20 0.43
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCL1 Q07820 2/20 0.42
GRK6 P43250 1/20 0.41
MEN1 O00255 3/20 0.40
ALOX15 P16050 2/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL6454308 0.79 IDO1 (0.57) IDO1HPGDKDM4ETSHRMAPT
SCHEMBL6451151 0.77 NPC1 (0.56) HPGDKDM4ETSHRMAPTLMNA
SCHEMBL14889280 0.77 ESR1 (0.42) HPGDKDM4EMAPTLMNAHTT
SCHEMBL482476 0.76 GPR35 (0.35) IDO1HPGDKDM4ETSHRAPOBEC3G
SCHEMBL18614399 0.76 ALOX5AP (0.39) IDO1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL30633578 0.76 GPR35 (0.35) IDO1HPGDKDM4ETSHRAPOBEC3G
SCHEMBL1395368 0.74 IDO1 (0.48) IDO1HPGDTSHRMAPTLMNA
SCHEMBL29467526 0.73 MEN1 (0.62) HPGDKDM4ETSHRMAPTTP53
SCHEMBL8743338 0.72 ALOX15 (0.62) IDO1HPGDKDM4ETSHRAPOBEC3G
SCHEMBL5368228 0.70 MAPT (0.48) IDO1HPGDKDM4ETSHRAPOBEC3G

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 IDO1 2394/4885HPGD 258/4885KDM4E 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.