SCHEMBL5197829

SCHEMBL5197829

Cc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
CREBBP Q92793 1/20 0.36
SCN9A Q15858 1/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
GRIN2B Q13224 5/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRIN1 Q05586 1/20 0.34
PTGER4 P35408 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NR1I2 O75469 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 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
SCHEMBL5197984 0.93 F10 (0.37) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5934895 0.92 GRIN2B (0.41) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5197849 0.92 PRKCA (0.36) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5197342 0.92 HPGD (0.41) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5197917 0.91 EGLN1 (0.37) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL29532555 0.91 KCNH2 (0.37) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5196593 0.91 KCNH2 (0.37) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5223708 0.90 ALDH1A1 (0.37) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5197025 0.90 BRD4 (0.36) BRD4CREBBPSCN9APRKCAMMP12
SCHEMBL5197401 0.90 ALDH1A1 (0.39) BRD4CREBBPSCN9APRKCAMMP12

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

“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.