SCHEMBL1761887

SCHEMBL1761887

O=C(O)c1cc2cccc-2cs1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.59
HDAC6 Q9UBN7 1/20 0.51
DAO P14920 4/20 0.50
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 1/20 0.44
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
HPGDS O60760 1/20 0.43
LDHA P00338 1/20 0.42
PTPN1 P18031 1/20 0.42
ITGA2B P08514 1/20 0.41
MMP12 P39900 1/20 0.40

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
SCHEMBL505511 0.88 ALAD (0.70) ALADHDAC6DAOMEN1POLB
SCHEMBL3641638 0.87 HSD17B1 (0.59) ALADHDAC6DAOHSD17B1HSD17B2
SCHEMBL6451881 0.86 ALAD (0.68) ALADHDAC6DAOMEN1RAB9A
SCHEMBL13376205 0.86 DAO (0.55) ALADHDAC6DAOKMOHSD17B1
SCHEMBL3638317 0.83 ALAD (0.51) ALADHDAC6KMO
SCHEMBL4153715 0.79 ABL1 (0.51) ALADHDAC6RAB9AKMO
SCHEMBL28875556 0.77 KDM4E (0.51) HDAC6RAB9AHSD17B1HSD17B2MMP12
SCHEMBL4385980 0.77 DYRK1A (0.60) ALADHDAC6RAB9AKMO
SCHEMBL4381926 0.76 ALAD (0.66) ALADHDAC6DAOMMP12
SCHEMBL6450949 0.76 ALAD (0.71) ALADHDAC6DAOMEN1RAB9A

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-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US disclosed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP disclosed
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-7897766-B2 [3H]-(S,S)-2,2-dimethyl-5-(6-phenyl-pyridazin-3-yl)-5-aza-2-azonia-bicyclo[2.2.1]heptane, iodide; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, mild cognitive impairment, age-associated memory impairment ABBOTT LABORATORIES (US) 2011-03-01 US disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 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 (3 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 ALAD 2339/4885HDAC6 2875/4885DAO 144/4885
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ALAD 2339/4885HDAC6 2875/4885DAO 144/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ALAD 2339/4885HDAC6 2875/4885DAO 144/4885

“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.