SCHEMBL3272841

SCHEMBL3272841

Cn1c(=O)c2ncn(N)c2n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
PIK3CD O00329 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
ADORA1 P30542 1/20 0.41
NTSR1 P30989 1/20 0.41
MC3R P41968 1/20 0.41
NOTUM Q6P988 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GDA Q9Y2T3 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 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
Isocaffiene SCHEMBL515995 0.81 LMNA (0.57) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL8136340 0.78 LMNA (0.54) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL1962417 0.76 LMNA (0.69) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL19953694 0.74 LMNA (0.66) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL17682185 0.74 LMNA (0.50) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL23974577 0.74 LMNA (0.54) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL23974579 0.74 LMNA (0.50) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL19601295 0.73 LMNA (0.49) LMNAALDH1A1MAPTPOLBADORA2A
SCHEMBL10598646 0.73 LMNA (0.68) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL8679546 0.73 LMNA (0.64) LMNAALDH1A1MAPTPOLBADORA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691896-B2 Analogs of salinosporamide A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-06 US disclosed
EP-1931679-A4 ANALOGS OF SALINOSPORAMIDE A HARVARD COLLEGE (US) 2009-07-29 EP disclosed
US-20090054665-A1 ANALOGS OF SALINOSPORAMIDE A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-26 US disclosed
EP-1931679-A1 ANALOGS OF SALINOSPORAMIDE A The President and Fellows of Harvard College (US) 2008-06-18 EP disclosed
WO-2007021897-A1 ANALOGS OF SALINOSPORAMIDE A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-22 WO disclosed
US-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 US 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-20090054665-A1 ANALOGS OF SALINOSPORAMIDE A PSME1, PSMG3, PSMD5 LMNA 3671/4885ALDH1A1 2512/4885MAPT 3047/4885

“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.