Sugi Predict

Sugi Predict / Compounds / SCHEMBL1595062

SCHEMBL1595062

SCHEMBL1595062

CN(C)C=Cc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ NCEH1 Q6PIU2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.47
▸ RXRA P19793 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MMP14 P50281 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPRT1 P00492 1/20 0.39
▸ HNF4A P41235 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1710123 1.00 TSHR (0.54) TSHRNCEH1CYP3A4RXRAHSP90AA1
SCHEMBL28917008 0.83 TSHR (0.58) TSHRNCEH1CYP3A4RXRAHSP90AA1
SCHEMBL13602996 0.82 MAPT (0.46) TSHRMAPTGAAKDM4ETDP1
SCHEMBL12804385 0.81 HASPIN (0.45) MAPTGAAKDM4ETDP1KMT2A
SCHEMBL6881715 0.81 HASPIN (0.45) MAPTGAAKDM4ETDP1KMT2A
SCHEMBL6884488 0.79 TSHR (0.54) TSHRNCEH1CYP3A4RXRAHSP90AA1
SCHEMBL1012510 0.78 PDE10A (0.46) TSHRCYP3A4HSP90AA1MAPTKDM4E
SCHEMBL1012509 0.78 PDE10A (0.46) TSHRCYP3A4HSP90AA1MAPTKDM4E
SCHEMBL2680824 0.78 TSHR (0.59) TSHRNCEH1CYP3A4RXRAHSP90AA1
SCHEMBL30766527 0.78 TSHR (0.59) TSHRNCEH1CYP3A4RXRAHSP90AA1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8050531-B2 Dendrimer based terahertz generator APPLIED RESEARCH AND PHOTONICS, INC. 2011-11-01 — — US claimed
US-7854505-B2 Passive and active photonic crystal structures and devices THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-21 — — US claimed
US-20090323014-A1 PASSIVE AND ACTIVE PHOTONIC CRYSTAL STRUCTURES AND DEVICES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-12-31 — — US claimed
US-20080128618-A1 Dendrimer Based Electro-Optic Sensor APPLIED RESEARCH AND PHOTONICS, INC. 2008-06-05 — — US claimed
US-20080099698-A1 Dendrimer Based Terahertz Generator APPLIED RESEARCH AND PHOTONICS, INC. 2008-05-01 — — US claimed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 — — US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
US-9260418-B2 Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
EP-2624697-B1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-11-25 — — EP disclosed
CN-102480964-B Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME 2015-07-08 — — CN disclosed
EP-2473048-B1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-03-25 — — EP disclosed
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-01-29 — — US disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 — — US disclosed
US-7919755-B2 Dendrimer based electro-optic sensor APPLIED RESEARCH AND PHOTONICS, INC. 2011-04-05 — — US disclosed
US-7854505-B2 Passive and active photonic crystal structures and devices THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-21 — — US disclosed
US-20090323014-A1 PASSIVE AND ACTIVE PHOTONIC CRYSTAL STRUCTURES AND DEVICES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-12-31 — — US disclosed
US-20080128618-A1 Dendrimer Based Electro-Optic Sensor APPLIED RESEARCH AND PHOTONICS, INC. 2008-06-05 — — US disclosed
US-20080002329-A1 High Dielectric, Non-Linear Capacitor POHM ARTHUR V 2008-01-03 — — US disclosed
US-20070206342-A1 High Dielectric, Non-Linear Nano-Capacitor NANO-ELECTROCHEM, INC. 2007-09-06 — — US disclosed
US-20060291278-A1 Nano-Reflectors for Thin, Flat Display Devices NANO-ELECTROCHEM, INC. (US) 2006-12-28 — — 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-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 TSHR 632/4885NCEH1 3137/4885CYP3A4 419/4885
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 TSHR 587/4885NCEH1 3097/4885CYP3A4 296/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 TSHR 587/4885NCEH1 3097/4885CYP3A4 296/4885

“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.