SCHEMBL1495433

SCHEMBL1495433

COc1ncc(CNC(=O)c2cc(C(=O)N3CCCC3)cc(-c3ccc(C)cc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
AKR1C3 P42330 5/20 0.44
AKR1C4 P17516 2/20 0.42
AKR1C2 P52895 2/20 0.42
HDAC1 Q13547 2/20 0.42
AKR1C1 Q04828 1/20 0.42
KIT P10721 2/20 0.42
CD274 Q9NZQ7 1/20 0.42
DHODH Q02127 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
GRM5 P41594 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
KDM1A O60341 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
SCHEMBL1495494 0.90 AKR1C3 (0.45) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495403 0.89 AKR1C3 (0.44) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495395 0.89 AKR1C3 (0.44) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495814 0.89 HDAC1 (0.48) ROCK2ROCK1AKR1C3AKR1C4AKR1C2
SCHEMBL12757578 0.89 AKR1C3 (0.43) ROCK2ROCK1AKR1C3AKR1C4AKR1C2
SCHEMBL1495354 0.88 AKR1C3 (0.45) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL12757550 0.86 AKR1C3 (0.44) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL1495422 0.86 WDR5 (0.48) AKR1C3AKR1C4AKR1C2HDAC1AKR1C1
SCHEMBL12757549 0.86 ROCK2 (0.40) ROCK2ROCK1AKR1C3CD274EGLN1
SCHEMBL1495450 0.85 AKR1C3 (0.46) 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 8 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
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
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 ROCK2 2461/4885ROCK1 1443/4885AKR1C3 973/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B ROCK2 2461/4885ROCK1 1443/4885AKR1C3 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.