SCHEMBL6450663

SCHEMBL6450663

Oc1ccc(Br)cc1-c1ccnn1-c1ncccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.38
EPHX2 P34913 1/20 0.37
CYP17A1 P05093 1/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
CXCL8 P10145 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 3/20 0.34
GAA P10253 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RBP4 P02753 1/20 0.33
TRPV1 Q8NER1 2/20 0.32

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
SCHEMBL6449840 0.79 PTGER1 (0.44) HSD11B1
SCHEMBL6449993 0.78 EPHX2 (0.36) EPHX2MEN1TNFCXCL8KMT2A
SCHEMBL6450284 0.76 EPHX2 (0.36) EPHX2CYP17A1MEN1TNFCXCL8
SCHEMBL13522939 0.73 HSP90AA1 (0.51) HSP90AA1MEN1KMT2AKDM4E
SCHEMBL6450885 0.70 HSD11B1 (0.43) EPHX2CYP17A1HSD11B1TRPV1
SCHEMBL6451283 0.69 KMT2A (0.38) MEN1TNFCXCL8KMT2APAX8
SCHEMBL6454145 0.69 CHUK (0.41) MEN1KMT2AKDM4E
SCHEMBL323525 0.67 MAPT (0.49) MEN1KMT2AKDM4ENPSR1
SCHEMBL6449822 0.67 KDM4E (0.38) MEN1TNFCXCL8KMT2APAX8
SCHEMBL7038482 0.66 HSD11B1 (0.44) EPHX2CYP17A1HSD11B1GAANPSR1

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 HSP90AA1 1213/4885EPHX2 520/4885CYP17A1 491/4885

“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.