SCHEMBL10061533

SCHEMBL10061533

O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.72
CA9 Q16790 9/20 0.72
CA1 P00915 8/20 0.72
CA12 O43570 3/20 0.72
HDAC6 Q9UBN7 2/20 0.68
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 2/20 0.66
POLB P06746 2/20 0.66
KMT2A Q03164 2/20 0.66
CA7 P43166 6/20 0.60
HDAC8 Q9BY41 1/20 0.59
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL25421518 0.90 MAPT (0.82) CA2CA9CA1CA12HDAC6
SCHEMBL25421511 0.90 MAPT (0.82) CA2CA9CA1CA12HDAC6
SCHEMBL8769257 0.84 CA2 (0.65) CA2CA9CA1CA12HDAC6
SCHEMBL31424925 0.83 HDAC6 (1.00) HDAC6ALDH1A1MAPTKDM4EMEN1
SCHEMBL6881707 0.80 HDAC3 (0.56) CA2CA9CA1CA12HDAC6
SCHEMBL13569005 0.79 CA2 (0.59) CA2CA9CA1CA12ALDH1A1
SCHEMBL15850942 0.79 POLB (0.80) CA2CA9CA1HDAC6ALDH1A1
SCHEMBL15850962 0.79 RAB9A (0.87) CA2CA9CA1HDAC6ALDH1A1
SCHEMBL10026674 0.77 HDAC8 (0.72) HDAC6ALDH1A1MAPTKDM4EMEN1
SCHEMBL17975139 0.76 CA1 (0.56) CA2CA9CA1CA12ALDH1A1

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-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2017-02-23 US disclosed
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-07-03 US disclosed
US-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 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-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A CA2 855/4885CA9 1454/4885CA1 2849/4885
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A CA2 855/4885CA9 1454/4885CA1 2849/4885
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A CA2 855/4885CA9 1454/4885CA1 2849/4885

“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.