SCHEMBL723534

SCHEMBL723534

O=C(C=Cc1ccc(CN2CCCCC2)cc1)NO

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.66
HTR2A P28223 2/20 0.66
MCHR1 Q99705 2/20 0.66
HDAC1 Q13547 13/20 0.65
HDAC8 Q9BY41 11/20 0.65
HDAC6 Q9UBN7 10/20 0.65
HDAC3 O15379 8/20 0.65
HDAC4 P56524 8/20 0.65
HDAC5 Q9UQL6 8/20 0.65
HDAC2 Q92769 8/20 0.65
HDAC7 Q8WUI4 7/20 0.65
HDAC10 Q969S8 7/20 0.65
HDAC11 Q96DB2 7/20 0.65
HDAC9 Q9UKV0 7/20 0.65
KCNH2 Q12809 2/20 0.56
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL723533 1.00 CHRM1 (0.66) CHRM1HTR2AMCHR1HDAC1HDAC8
SCHEMBL723567 0.87 HDAC1 (0.64) CHRM1HTR2AMCHR1HDAC1HDAC8
SCHEMBL723773 0.87 HDAC1 (0.67) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL724056 0.87 HDAC1 (0.69) HTR2AHDAC1HDAC8HDAC6HDAC3
SCHEMBL723772 0.87 HDAC1 (0.67) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1486886 0.87 HDAC1 (0.69) HTR2AHDAC1HDAC8HDAC6HDAC3
SCHEMBL723568 0.87 HDAC1 (0.64) CHRM1HTR2AMCHR1HDAC1HDAC8
SCHEMBL722626 0.86 LMNA (0.72) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL722627 0.86 LMNA (0.72) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8241471 0.86 HDAC6 (0.86) HDAC1HDAC8HDAC6HDAC3HDAC4

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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US claimed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 CHRM1 1826/4885HTR2A 2151/4885MCHR1 2268/4885

“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.