Sugi Predict

Sugi Predict / Compounds / SCHEMBL3577423

SCHEMBL3577423

SCHEMBL3577423

COc1ccc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 10/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ STS P08842 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 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
SCHEMBL3579559 0.87 ALDH1A1 (0.47) MAPTRECQLALDH1A1LMNAKDM4E
SCHEMBL3582128 0.87 MAPT (0.47) MAPTRECQLALDH1A1LMNAGAA
SCHEMBL5215913 0.82 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESTSHTT
SCHEMBL3584740 0.82 ALDH1A1 (0.45) MAPTRECQLALDH1A1GAAMAPK1
SCHEMBL18970179 0.81 ALDH1A1 (0.45) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL5204415 0.80 ALDH1A1 (0.46) MAPTALDH1A1LMNAKDM4ESTS
SCHEMBL4435995 0.80 MAPT (0.70) MAPTRECQLALDH1A1LMNAGAA
SCHEMBL4664911 0.80 ALDH1A1 (0.46) MAPTALDH1A1LMNAESR2
SCHEMBL7256007 0.79 MAPT (0.41) MAPTALDH1A1LMNAGAASTS
SCHEMBL5350795 0.79 MAPT (0.41) MAPTALDH1A1LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 — — EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 — — EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 — — US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 — — US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 — — US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 — — US disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 — — EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 — — WO disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 — — 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 (1 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 MAPT 3821/4885RECQL 39/4885ALDH1A1 577/4885

“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.