SCHEMBL8891798

SCHEMBL8891798

COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCN)CCCCN)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.67
MBNL1 Q9NR56 1/20 0.65
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
USP2 O75604 4/20 0.58
TP53 P04637 3/20 0.58
CYP3A4 P08684 3/20 0.58
CASP1 P29466 3/20 0.58
CASP7 P55210 3/20 0.58
HBB P68871 3/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 2/20 0.58
BRCA1 P38398 2/20 0.58
HIF1A Q16665 2/20 0.58
NPC1 O15118 1/20 0.58
PRNP P04156 1/20 0.58
CHRM2 P08172 1/20 0.58

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
SCHEMBL8889975 0.99 ADORA2A (0.68) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL8892094 0.98 MBNL1 (0.68) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL8893297 0.98 ADORA2A (0.70) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL8891127 0.97 MBNL1 (0.64) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL8902680 0.97 MBNL1 (0.67) ADORA2AMBNL1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8900940 0.96 MBNL1 (0.66) ADORA2AMBNL1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8901984 0.95 MBNL1 (0.64) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL15061231 0.91 ADORA2A (0.68) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL23904131 0.91 MBNL1 (0.77) ADORA2AMBNL1MEN1KMT2ATDP1
SCHEMBL23904881 0.90 MBNL1 (0.76) ADORA2AMBNL1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263231-A1 Methods and Compositions Related to Viral Inhibition CLEMSON UNIVERSITY 2016-09-15 US disclosed
WO-2016005979-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS IN HONEYBEES THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2016-01-14 WO disclosed
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 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-20160263231-A1 Methods and Compositions Related to Viral Inhibition EIF2AK2, NSUN2, NSUN3 ADORA2A 2370/4885MBNL1 160/4885MEN1 4330/4885

“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.