SCHEMBL5198611

SCHEMBL5198611

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(-c4ccc5ccccc5n4)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.42
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PDE10A Q9Y233 3/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL5197401 0.94 ALDH1A1 (0.39) SMOPRKCAMMP12KDM4EL3MBTL1
SCHEMBL5315233 0.91 RXFP1 (0.38) SMOPRKCAMMP12L3MBTL1MAPT
SCHEMBL5197342 0.90 HPGD (0.41) PRKCAMMP12KDM4EGAAMAPT
SCHEMBL5219759 0.90 TMEM97 (0.37) SMOPRKCAMMP12SMN1; SMN2BRD4
SCHEMBL5197220 0.90 HRH1 (0.41) PRKCAMMP12RAB9AALDH1A1HRH1
SCHEMBL5198409 0.89 GRIN2B (0.43) PRKCAMMP12MAPTBRD4CREBBP
SCHEMBL5439046 0.89 PRKCA (0.44) PRKCAMMP12MAPTBRD4CREBBP
SCHEMBL5197055 0.88 P2RY14 (0.39) PRKCAMMP12MAPTKCNH2TP53
SCHEMBL5198279 0.88 L3MBTL1 (0.44) KDM4EL3MBTL1NPC1GAAMAPT
SCHEMBL5196859 0.88 MAPT (0.39) SMOPRKCAMMP12MAPTSMN1; SMN2

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 SMO 3320/4885PRKCA 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.