SCHEMBL1495553

SCHEMBL1495553

Cc1ccc(CNC(=O)c2cc(C(=O)N3CCCC3)cc(-c3ccc(Br)cc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GRM5 P41594 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.41
HDAC1 Q13547 1/20 0.40
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
KIT P10721 1/20 0.40
PIK3CA P42336 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
SCHEMBL1495422 0.92 WDR5 (0.48) WDR5AKR1C4AKR1C3AKR1C2KLKB1
SCHEMBL8009112 0.90 WDR5 (0.47) WDR5KLKB1KLK1GRM5HPGD
SCHEMBL12757619 0.90 AKR1C4 (0.45) WDR5AKR1C4AKR1C3AKR1C2KLKB1
SCHEMBL1495829 0.89 WDR5 (0.45) WDR5AKR1C4AKR1C3AKR1C2KLKB1
SCHEMBL1495705 0.84 CA1 (0.43) WDR5KLKB1KLK1GRM5HPGD
SCHEMBL1495425 0.84 P2RX3 (0.48) WDR5
SCHEMBL12757573 0.84 WDR5 (0.49) WDR5AKR1C4AKR1C3AKR1C2ALDH1A1
SCHEMBL1495450 0.83 AKR1C3 (0.46) AKR1C4AKR1C3AKR1C2KLKB1KLK1
SCHEMBL12757575 0.82 WDR5 (0.45) WDR5AKR1C4AKR1C3AKR1C2ALDH1A1
SCHEMBL1495494 0.82 AKR1C3 (0.45) AKR1C4AKR1C3AKR1C2KLKB1KLK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US claimed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
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-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-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
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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 (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 1801/4885AKR1C4 1109/4885AKR1C3 973/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B WDR5 1801/4885AKR1C4 1109/4885AKR1C3 973/4885

“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.