SCHEMBL1953955

SCHEMBL1953955

[CH2]c1ccc(-n2sccc2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 10/20 0.64
EP300 Q09472 5/20 0.64
PIN1 Q13526 1/20 0.50
IDO1 P14902 2/20 0.49
ALDH1A1 P00352 2/20 0.32
G6PD P11413 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL22657 0.78 KAT2B (1.00) KAT2BEP300PIN1IDO1ALDH1A1
SCHEMBL20718809 0.62
SCHEMBL2539751 0.60 F10 (0.39) ALDH1A1HPGDHSD17B10MAPT
SCHEMBL10668708 0.59 MGLL (0.75) ALDH1A1PKMTDP1HSP90AA1
SCHEMBL147275 0.58
SCHEMBL325211 0.55 KMT2A (0.64) ALDH1A1HTT
SCHEMBL11283275 0.54 ALDH1A1 (0.53) KAT2BEP300IDO1ALDH1A1G6PD
Calcium Chloride SCHEMBL21625034 0.54 INMT (0.45) KAT2BEP300PIN1IDO1ALDH1A1
SCHEMBL22006173 0.54
SCHEMBL3858961 0.53 EIF2AK2 (0.39) ALDH1A1HSD17B10CYP3A4TSHR

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-8518957-B2 Methanocarba adenosine derivatives, pharmaceutical compositions, and method of reducing intraocular pressure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-08-27 US disclosed
US-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The United States of Americia, as represented by the Secretary, Department of Health and Human Serv (US) 2012-10-18 US disclosed
EP-2507241-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2012-10-10 EP disclosed
WO-2011068978-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-06-09 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-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF ADORA3, ADORA2A, ADORA1 KAT2B 4655/4885EP300 4729/4885PIN1 4540/4885

“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.