SCHEMBL5197849

SCHEMBL5197849

Cc1cc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)c(C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.35
SCN9A Q15858 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
NR1I2 O75469 1/20 0.34
GRIN2B Q13224 2/20 0.34
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 1/20 0.32
TYMS P04818 1/20 0.32
LTA4H P09960 1/20 0.32
VDR P11473 1/20 0.32
SRC P12931 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 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
SCHEMBL5197829 0.92 BRD4 (0.36) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5197903 0.89 PRKCA (0.41) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5197342 0.89 HPGD (0.41) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5257079 0.89 BRD4 (0.37) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5216604 0.89 PRKCA (0.36) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL29532555 0.88 KCNH2 (0.37) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5196593 0.88 KCNH2 (0.37) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5197025 0.88 BRD4 (0.36) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5197401 0.88 ALDH1A1 (0.39) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5197163 0.87 SCN9A (0.37) PRKCAMMP12BRD4CREBBPSCN9A

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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US 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 PRKCA 4500/4885MMP12 4114/4885BRD4 233/4885

“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.