SCHEMBL6450113

SCHEMBL6450113

Oc1cc(OCc2ccccc2)ccc1-c1nc(-c2ncccc2C(F)(F)F)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPK1 P28482 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.41
NOD2 Q9HC29 1/20 0.40
PDK2 Q15119 1/20 0.40
SCD O00767 1/20 0.40
ADORA2A P29274 1/20 0.38
AR P10275 1/20 0.38
ALOX5AP P20292 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PRMT5 O14744 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL6449893 0.86 MAPT (0.43) MAPTKDM4EMEN1KMT2ATRPV1
SCHEMBL6450788 0.85 MAPT (0.45) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL6452129 0.85 MAPT (0.45) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL6451157 0.83 MAPT (0.44) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL6454364 0.83 MAPT (0.51) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL6450021 0.82 ADORA2A (0.53) MAPK1TDP1ADORA2ATRPV1
SCHEMBL6457001 0.81 MAPT (0.45) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL6461029 0.80 SMN1; SMN2 (0.52) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL6451042 0.79 GRK6 (0.40) MAPTPDK2ADORA2AMEN1KMT2A
SCHEMBL6450017 0.79 GRK6 (0.44) MAPTNPSR1MAPK1KDM4EMEN1

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 MAPT 2805/4885NPSR1 3086/4885MAPK1 4158/4885

“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.