Sugi Predict

Sugi Predict / Compounds / SCHEMBL2384258

SCHEMBL2384258

SCHEMBL2384258

COc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(C)cc3)c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.52
▸ TP53 P04637 1/20 0.47
▸ ROCK2 O75116 4/20 0.47
▸ ROCK1 Q13464 4/20 0.47
▸ KDM1A O60341 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ WDR5 P61964 2/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 2/20 0.44

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
SCHEMBL2381741 0.90 AKR1C3 (0.61) AKR1C3TP53KDM1AHDAC1ALDH1A1
SCHEMBL2382726 0.89 SMN1; SMN2 (0.47) AKR1C3ROCK2ROCK1KDM1AHDAC1
SCHEMBL2382724 0.86 AURKA (0.54) AKR1C3TP53ROCK2ROCK1WDR5
SCHEMBL2384091 0.85 WDR5 (0.53) AKR1C3HDAC1ALDH1A1TSHRNPSR1
SCHEMBL2382517 0.85 WDR5 (0.57) AKR1C3KDM1AHDAC1WDR5AKR1C2
SCHEMBL2171055 0.82 WDR5 (0.49) AKR1C3TP53KDM1AHDAC1WDR5
SCHEMBL2383585 0.81 WDR5 (0.53) AKR1C3KDM1AHDAC1WDR5AKR1C2
SCHEMBL2383321 0.80 AKR1C3 (0.59) AKR1C3KDM1AHDAC1WDR5AKR1C2
SCHEMBL7951546 0.80 WDR5 (0.55) AKR1C3KDM1AHDAC1WDR5AKR1C2
SCHEMBL2172277 0.80 WDR5 (0.60) AKR1C3ROCK2ROCK1KDM1AHDAC1

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-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 — — US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 — — US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 — — US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 — — US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 — — US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 — — US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 — — US disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 — — 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B AKR1C3 893/4885TP53 2674/4885ROCK2 2748/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B AKR1C3 973/4885TP53 2597/4885ROCK2 2461/4885

“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.