Sugi Predict

Sugi Predict / Compounds / SCHEMBL2964677

SCHEMBL2964677

SCHEMBL2964677

N#Cc1ccc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.56
▸ NQO1 P15559 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ VCAM1 P19320 1/20 0.45
▸ CTSB P07858 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.44
▸ TXNRD3 Q86VQ6 1/20 0.44
▸ TXNRD2 Q9NNW7 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL26613519 0.77 ABCG2 (0.47) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL29746264 0.77 ABCG2 (0.47) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL27569712 0.75 HPGDS (0.52) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL27458114 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL29659762 0.75 ALDH1A1 (0.51) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL16289020 0.75 ALDH1A1 (0.51) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL2084891 0.75 TTR (0.53) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL31067258 0.75 ALDH1A1 (0.51) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL1438861 0.75 PLAU (0.53) TTRALDH1A1CYP3A4HTR3EHTR3B
SCHEMBL516896 0.75 ALDH1A1 (0.51) TTRALDH1A1CYP3A4HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256342-B Synthetic method of 2-cyano quinoline derivative 河南省科学院化学研究所有限公司 2022-06-07 — — CN disclosed
CN-110256342-A A kind of synthetic method of 2- cyano-quinoline derivatives 河南省科学院化学研究所有限公司 2019-09-20 — — CN disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 — — US disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 — — US disclosed
US-20140154716-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION 2014-06-05 — — US disclosed
US-20140154716-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION 2014-06-05 — — US disclosed
US-8476450-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2013-07-02 — — US disclosed
US-8476450-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2013-07-02 — — US disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 — — US disclosed
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 — — US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 — — US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 — — US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 — — US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 — — US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 — — US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 — — EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 — — US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 — — US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 — — 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 (6 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA TTR 1006/4885NQO1 944/4885ALDH1A1 1211/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA TTR 1000/4885NQO1 789/4885ALDH1A1 1051/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG TTR 667/4885NQO1 598/4885ALDH1A1 1002/4885
US-20140154716-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD TTR 3387/4885NQO1 91/4885ALDH1A1 1737/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD TTR 3410/4885NQO1 95/4885ALDH1A1 1746/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD TTR 2786/4885NQO1 516/4885ALDH1A1 1974/4885

“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.