SCHEMBL3833396

SCHEMBL3833396

CCOC(=O)C(C(=O)OCC)c1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
PKM P14618 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 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
SCHEMBL7683609 0.90 ALDH1A1 (0.64) MAPTLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL8814509 0.89 ALDH1A1 (0.52) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL29494000 0.86 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL18215472 0.86 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL19040594 0.86 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL31191230 0.85 ALDH1A1 (0.45) MAPTLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2430950 0.84 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8443380 0.83 MAPT (0.54) MAPTLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL4262705 0.83 MAPT (0.48) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3582173 0.83 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
WO-2012178015-A2 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2012-12-27 WO 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
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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 (3 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 3821/4885LMNA 4533/4885ALDH1A1 577/4885
US-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 MAPT 67/4885LMNA 2335/4885ALDH1A1 4546/4885
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 MAPT 1549/4885LMNA 4797/4885ALDH1A1 3282/4885

“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.