SCHEMBL4823441

SCHEMBL4823441

O=C(O)c1ccc2c(-c3ccccc3)c3n(c2c1)CCCC(Br)C3=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.36
MYC P01106 1/20 0.35
MAPK8 P45983 2/20 0.35
AURKA O14965 2/20 0.34
DPP4 P27487 2/20 0.34
PDE4A P27815 1/20 0.34
SCN9A Q15858 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PARP1 P09874 1/20 0.33
HCAR3 P49019 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4823428 0.80 SCN9A (0.50) SCN9APRKCAMMP12HSD17B10HCAR3
SCHEMBL4823190 0.80 SCN9A (0.44) FABP4MYCMAPK8DPP4SCN9A
SCHEMBL772131 0.73 SRD5A2 (0.47) KDM4E
SCHEMBL772287 0.70 SRD5A2 (0.43) FABP4
SCHEMBL3585372 0.67 PRKCA (0.51) SCN9APRKCAMMP12
SCHEMBL772512 0.65 ALDH1A1 (0.37) MAPK8DPP4KDM4EPARP1
SCHEMBL773872 0.65 PRKCA (0.53) SCN9APRKCAMMP12
SCHEMBL4823177 0.65 SCN9A (0.70) FABP4SCN9APRKCAMMP12HSD17B10
SCHEMBL2495824 0.64 PARP1 (0.33) FABP4MAPK8DPP4PARP1
SCHEMBL771443 0.64 SCN9A (0.46) FABP4SCN9APRKCAMMP12HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 FABP4 4522/4885MYC 647/4885MAPK8 2989/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 FABP4 4522/4885MYC 647/4885MAPK8 2989/4885

“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.