SCHEMBL3133062

SCHEMBL3133062

CN(C)C=Cc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ MAPT P10636 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL3133057 1.00 VCP (0.38) VCPTDP1ATMPTGS2MAPT
SCHEMBL30204572 1.00 VCP (0.38) VCPTDP1ATMPTGS2MAPT
SCHEMBL6616923 0.87 PTGS2 (0.40) TDP1ATMPTGS2MAPTALDH1A1
SCHEMBL6616919 0.87 PTGS2 (0.40) TDP1ATMPTGS2MAPTALDH1A1
SCHEMBL394822 0.86 VCAM1 (0.41) TDP1ATMPTGS2MAPTALDH1A1
SCHEMBL394821 0.86 VCAM1 (0.41) TDP1ATMPTGS2MAPTALDH1A1
SCHEMBL15338608 0.84 VCAM1 (0.36) VCPTDP1ATMPTGS2MAPT
SCHEMBL25594819 0.84 MAPK1 (0.36) VCPTDP1ATMPTGS2MAPT
SCHEMBL16727135 0.83 MAPT (0.38) TDP1ATMPTGS2MAPTALDH1A1
SCHEMBL17533407 0.82 CYP1A2 (0.42) TDP1PTGS2MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 — — EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 — — US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 — — US disclosed
EP-2125683-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS The Board of Trustees of the University of Illinois (US) 2009-12-02 — — EP disclosed
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 — — EP disclosed
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 — — WO disclosed
CN-100378097-C Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2008-04-02 — — CN disclosed
CN-1784397-A Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2006-06-07 — — CN disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 — — EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 — — US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 — — WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 — — 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D VCP 4647/4885TDP1 1331/4885ATM 3790/4885
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP VCP 4483/4885TDP1 1085/4885ATM 524/4885

“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.

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