SCHEMBL12757697

SCHEMBL12757697

Cc1ccc(-c2cc(CO)cc(C(=O)NCc3ccc(C)nc3)c2)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.48
HDAC1 Q13547 6/20 0.41
KDM1A O60341 3/20 0.41
KLKB1 P03952 5/20 0.41
AKR1C3 P42330 1/20 0.39
GAA P10253 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL2760762 0.91 WDR5 (0.39) WDR5KLKB1
SCHEMBL12757696 0.90 WDR5 (0.46) WDR5HDAC1KDM1AKLKB1AKR1C3
SCHEMBL1495704 0.90 WDR5 (0.44) WDR5HDAC1KDM1AKLKB1AKR1C3
SCHEMBL2171975 0.87 P2RX3 (0.48) WDR5
SCHEMBL1495673 0.87 WDR5 (0.41) WDR5HDAC1KDM1AKLKB1AKR1C3
SCHEMBL12757687 0.85 WDR5 (0.42) WDR5HDAC1KDM1AKLKB1AKR1C3
SCHEMBL1495435 0.84 WDR5 (0.42) WDR5HDAC1KDM1AKLKB1
SCHEMBL1495418 0.83 WDR5 (0.40) WDR5HDAC1KDM1AKLKB1AKR1C3
SCHEMBL1495361 0.83 WDR5 (0.41) WDR5HDAC1KDM1AKLKB1AKR1C3
SCHEMBL1495707 0.83 P2RX3 (0.47) WDR5

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-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 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 (2 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B WDR5 1801/4885HDAC1 442/4885KDM1A 2778/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B WDR5 1801/4885HDAC1 442/4885KDM1A 2778/4885

“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.