SCHEMBL4495569

SCHEMBL4495569

C/C(=C\c1cccc(Br)c1)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.64
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
ABL2 P42684 1/20 0.57
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK2 O60674 1/20 0.49
MITF O75030 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NTSR1 P30989 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLO1 Q04760 1/20 0.45
HSD17B3 P37058 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL13921159 1.00 FBP1 (0.64) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL4495571 1.00 FBP1 (0.64) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL2748046 0.81 FBP1 (0.66) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL2748049 0.81 FBP1 (0.66) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL2748047 0.81 FBP1 (0.66) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL14230254 0.81 FBP1 (0.66) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL8629798 0.80 FBP1 (0.64) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL3611102 0.80 GLO1 (0.69) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL3611103 0.80 GLO1 (0.69) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL8628812 0.80 FBP1 (0.69) FBP1ABL1EGFRABL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197894-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
CN-107074851-B As αvβ6Naphthyridine derivatives of integrin antagonists for the treatment of e.g. fibrotic diseases 葛兰素史密斯克莱知识产权发展有限公司 2020-01-10 CN disclosed
US-10513517-B2 Naphthyridine derivatives as alpha V beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-12-24 US disclosed
US-20190048005-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-14 US disclosed
US-10144733-B2 Naphthyridine derivatives as alpha v beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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 (8 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-10513517-B2 Naphthyridine derivatives as alpha V beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases ITGB1, ITGB3, ITGA1 FBP1 3383/4885ABL1 1943/4885EGFR 1981/4885
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES ITGB1, ITGB3, ITGA1 FBP1 3655/4885ABL1 1813/4885EGFR 1794/4885
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 FBP1 1284/4885ABL1 919/4885EGFR 3757/4885
US-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT FBP1 350/4885ABL1 3287/4885EGFR 3679/4885
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 FBP1 1284/4885ABL1 919/4885EGFR 3757/4885
US-20190048005-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES ITGB1, ITGB3, ITGA1 FBP1 3383/4885ABL1 1943/4885EGFR 1981/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 FBP1 1284/4885ABL1 919/4885EGFR 3757/4885
US-10144733-B2 Naphthyridine derivatives as alpha v beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases ITGB1, ITGB3, ITGA1 FBP1 3608/4885ABL1 1813/4885EGFR 1799/4885

“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.