SCHEMBL1495403

SCHEMBL1495403

Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(C(=O)N3CCCCCC3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.44
AKR1C4 P17516 2/20 0.44
AKR1C2 P52895 2/20 0.44
HDAC1 Q13547 2/20 0.44
AKR1C1 Q04828 1/20 0.44
GRM5 P41594 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
P2RX3 P56373 3/20 0.44
P2RX2 Q9UBL9 3/20 0.44
KIT P10721 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1495395 1.00 AKR1C3 (0.44) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495494 0.99 AKR1C3 (0.45) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495354 0.97 AKR1C3 (0.45) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL12757535 0.91 SMN1; SMN2 (0.46) AKR1C3AKR1C4AKR1C2GRM5KLKB1
SCHEMBL12757536 0.91 SCN2A (0.46) AKR1C3AKR1C4AKR1C2GRM5KLKB1
SCHEMBL12757533 0.91 MEN1 (0.46) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL12757619 0.91 AKR1C4 (0.45) AKR1C3AKR1C4AKR1C2HDAC1KLKB1
SCHEMBL12757532 0.90 P2RX3 (0.45) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495433 0.89 ROCK2 (0.47) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL12757550 0.89 AKR1C3 (0.44) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1

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 17 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
CN-104058999-A Amide Compounds, Compositions And Uses Thereof RENOVIS INC 2014-09-24 CN disclosed
CN-104016907-A Amide compounds, compositions and uses thereof RENOVIS INC 2014-09-03 CN 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 AKR1C3 973/4885AKR1C4 1109/4885AKR1C2 1626/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B AKR1C3 973/4885AKR1C4 1109/4885AKR1C2 1626/4885

“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.