SCHEMBL3582209

SCHEMBL3582209

COc1ccc(C=C2CCC(O[Si](C)(C)C(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 5/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL3582319 0.78 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3580185 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3586175 0.77 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3581134 0.75 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3584740 0.74 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3576300 0.72 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3576294 0.72 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3576296 0.72 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3577423 0.72 MAPT (0.46) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3579559 0.70 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2AKDM4E

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 4 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
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

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 ALDH1A1 577/4885MAPT 3821/4885MAPK1 2681/4885

“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.