SCHEMBL5196555

SCHEMBL5196555

Cc1nccnc1-c1ccc2cc(-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3CC(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 1/20 0.37
GRIN2B Q13224 4/20 0.36
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
NR1I2 O75469 1/20 0.34
PTGER4 P35408 1/20 0.33
GRIN1 Q05586 1/20 0.33
HPGD P15428 1/20 0.33
MAPK14 Q16539 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
SCHEMBL5197163 0.91 SCN9A (0.37) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5197342 0.90 HPGD (0.41) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5223590 0.89 SCN9A (0.37) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5197829 0.89 BRD4 (0.36) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5197025 0.89 BRD4 (0.36) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5219759 0.88 TMEM97 (0.37) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5197401 0.88 ALDH1A1 (0.39) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5221017 0.88 KCNH2 (0.37) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5197236 0.88 TMEM97 (0.39) SCN9ABRD4CREBBPGRIN2BPRKCA
SCHEMBL5196593 0.87 KCNH2 (0.37) SCN9ABRD4CREBBPGRIN2BPRKCA

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 SCN9A 4015/4885BRD4 233/4885CREBBP 1671/4885

“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.