SCHEMBL1912347

SCHEMBL1912347

O=C(NCc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.80
HDAC1 Q13547 3/20 0.80
HDAC2 Q92769 2/20 0.80
HDAC8 Q9BY41 2/20 0.80
HDAC3 O15379 1/20 0.80
HDAC4 P56524 1/20 0.80
HDAC7 Q8WUI4 1/20 0.80
HDAC10 Q969S8 1/20 0.80
HDAC11 Q96DB2 1/20 0.80
HDAC9 Q9UKV0 1/20 0.80
HDAC5 Q9UQL6 1/20 0.80
EPHX2 P34913 2/20 0.77
NR1H4 Q96RI1 2/20 0.77
TRPV1 Q8NER1 1/20 0.69
MMP13 P45452 1/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.65

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
SCHEMBL27903146 0.90 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL8042301 0.90 HDAC6 (0.77) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL6386658 0.89 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL539059 0.89 EPHX2 (0.84) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL8163396 0.85 HSP90AA1 (0.68) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1927145 0.84 EPHX2 (0.77) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL4981515 0.84 EPHX2 (0.77) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1926318 0.84 EPHX2 (0.77) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL3025457 0.84 HDAC6 (0.91) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL16495652 0.82 HPGDS (0.82) HDAC6HDAC1HDAC2HDAC8HDAC3

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-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 HDAC6 1783/4885HDAC1 830/4885HDAC2 1820/4885

“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.