SCHEMBL5198340

SCHEMBL5198340

O=C(O)c1ccc2c(C3CCCCC3)c(Br)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
NR1I2 O75469 1/20 0.38
SCN9A Q15858 2/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GRIN2B Q13224 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
LTA4H P09960 1/20 0.35
VDR P11473 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5196676 0.89 ALDH1A1 (0.43) NR1I2SCN9AALDH1A1POLBKDM4E
SCHEMBL5439046 0.86 PRKCA (0.44) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL13095926 0.84 PRKCA (0.41) PRKCAMMP12SCN9A
SCHEMBL5198409 0.84 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL5217612 0.83 SCN9A (0.41) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL5452200 0.83 EGFR (0.43) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL1173795 0.83 SCN9A (0.50) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL5198832 0.83 MAPK1 (0.42) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL5198773 0.82 ALDH1A1 (0.40) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL5434937 0.81 PTGS2 (0.46) PRKCAMMP12SCN9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 PRKCA 4500/4885MMP12 4114/4885NR1I2 95/4885

“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.