SCHEMBL5220936

SCHEMBL5220936

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccc(Br)c5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
APC P25054 2/20 0.36
MTOR P42345 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
KMT2A Q03164 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
GRIN2B Q13224 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
SMO Q99835 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL5197401 0.93 ALDH1A1 (0.39) POLBPRKCAMMP12EGLN1GRIN2B
SCHEMBL5197877 0.92 GRIN2B (0.42) POLBAPCMTORPRKCAMMP12
SCHEMBL5310421 0.92 PRKCA (0.35) MTORPRKCAMMP12EGLN1GRIN2B
SCHEMBL5196805 0.92 GRIN2B (0.40) MTORPRKCAMMP12EGLN1GRIN2B
SCHEMBL5315233 0.92 RXFP1 (0.38) PRKCAMMP12KMT2AEGLN1BRD4
SCHEMBL5197827 0.90 ALDH1A1 (0.42) POLBMTORMAPTALDH1A1
SCHEMBL5198500 0.90 LMNA (0.42) POLBMTORPRKCAMMP12KMT2A
SCHEMBL5197501 0.90 EGLN1 (0.34) PRKCAMMP12EGLN1GRIN2BBRD4
SCHEMBL5196859 0.90 MAPT (0.39) PRKCAMMP12KMT2AEGLN1GRIN2B
SCHEMBL5934671 0.90 ALDH1A1 (0.39) MTORPRKCAMMP12KMT2AEGLN1

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 6 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 claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
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 POLB 451/4885APC 2761/4885MTOR 3025/4885

“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.