SCHEMBL5227324

SCHEMBL5227324

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5c(F)cccc5F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
GLP1R P43220 5/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NR1I2 O75469 1/20 0.35
SCN9A Q15858 1/20 0.35
MTOR P42345 1/20 0.34
SMO Q99835 1/20 0.34
GRIN2B Q13224 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5196861 0.93 GRIN2B (0.39) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5196805 0.91 GRIN2B (0.40) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5217338 0.91 GRIN2B (0.39) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5197220 0.91 HRH1 (0.41) HRH1PRKCAMMP12EGLN1SCN9A
SCHEMBL5197401 0.91 ALDH1A1 (0.39) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5197877 0.88 GRIN2B (0.42) PRKCAMMP12BRD4CREBBPSCN9A
SCHEMBL5310421 0.88 PRKCA (0.35) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5220936 0.88 POLB (0.37) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5219759 0.88 TMEM97 (0.37) HRH1PRKCAMMP12BRD4CREBBP
SCHEMBL5197342 0.88 HPGD (0.41) PRKCAMMP12BRD4CREBBPEGLN1

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 HRH1 3066/4885PRKCA 4500/4885MMP12 4114/4885

“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.