SCHEMBL5197877

SCHEMBL5197877

Cc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.42
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PTGER4 P35408 1/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
MAPT P10636 3/20 0.36
APC P25054 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5197342 0.93 HPGD (0.41) GRIN2BBRD4CREBBPPTGER4PRKCA
SCHEMBL5197401 0.93 ALDH1A1 (0.39) GRIN2BBRD4CREBBPPRKCAMMP12
SCHEMBL5310421 0.92 PRKCA (0.35) GRIN2BBRD4CREBBPPRKCAMMP12
SCHEMBL5220936 0.92 POLB (0.37) GRIN2BBRD4CREBBPPRKCAMMP12
SCHEMBL5196805 0.92 GRIN2B (0.40) GRIN2BBRD4CREBBPPRKCAMMP12
SCHEMBL5197025 0.92 BRD4 (0.36) GRIN2BBRD4CREBBPPTGER4PRKCA
SCHEMBL5227568 0.92 GRIN2B (0.45) GRIN2BBRD4CREBBPPTGER4PRKCA
SCHEMBL5197827 0.91 ALDH1A1 (0.42) MAPTALDH1A1TP53USP2POLB
SCHEMBL5197163 0.91 SCN9A (0.37) GRIN2BBRD4CREBBPPTGER4PRKCA
SCHEMBL5198500 0.90 LMNA (0.42) GRIN2BPRKCAMMP12ALDH1A1KDM4E

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 GRIN2B 1821/4885BRD4 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.